smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@H]1CCCC[C@@H]1OC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003181664 204080626 /nfs/dbraw/zinc/08/06/26/204080626.db2.gz NKTVEIOKRCFGBI-CJNGLKHVSA-N 1 0 354.834 3.454 50 5 FGBARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005447438 204209945 /nfs/dbraw/zinc/20/99/45/204209945.db2.gz QYHGDUIFCYJAES-MJGOQNOKSA-N 1 0 351.406 3.351 50 5 FGBARO C[NH+](C)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009515696 204372362 /nfs/dbraw/zinc/37/23/62/204372362.db2.gz HGLRPICVHZNJHG-KRWDZBQOSA-N 1 0 359.451 3.106 50 5 FGBARO CN(C)C(=O)C1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000009595748 204375347 /nfs/dbraw/zinc/37/53/47/204375347.db2.gz PZJQFAHMPURMEA-UHFFFAOYSA-N 1 0 364.445 3.246 50 5 FGBARO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000018019293 204659062 /nfs/dbraw/zinc/65/90/62/204659062.db2.gz PGLBEPUFAMILJH-LJQANCHMSA-N 1 0 353.422 3.470 50 5 FGBARO Cc1c(NC(=O)CC[N@@H+](C[C@H](C)O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000058357686 205272658 /nfs/dbraw/zinc/27/26/58/205272658.db2.gz TWHZOBKNZGVAKM-AWEZNQCLSA-N 1 0 363.458 3.247 50 5 FGBARO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000052715263 206222309 /nfs/dbraw/zinc/22/23/09/206222309.db2.gz DCKVMESPPLJNGH-LJQANCHMSA-N 1 0 369.421 3.249 50 5 FGBARO Cc1c(C[NH+]2CCC(NC(=O)c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000058165954 206394616 /nfs/dbraw/zinc/39/46/16/206394616.db2.gz ARVUKRYRTJMKAC-UHFFFAOYSA-N 1 0 359.451 3.359 50 5 FGBARO COc1ccc(NC(=O)CC[N@@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072305249 494150027 /nfs/dbraw/zinc/15/00/27/494150027.db2.gz IDIUXGRAFBTGHQ-INIZCTEOSA-N 1 0 367.471 3.005 50 5 FGBARO CCOc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000058162922 206391676 /nfs/dbraw/zinc/39/16/76/206391676.db2.gz RYOSNUFGNJSMIG-CQSZACIVSA-N 1 0 363.458 3.234 50 5 FGBARO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032933067 206515209 /nfs/dbraw/zinc/51/52/09/206515209.db2.gz PNEJQIRPMBSZAO-UHFFFAOYSA-N 1 0 371.437 3.245 50 5 FGBARO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+]1CCc2ccccc2C1 ZINC000029174544 493822936 /nfs/dbraw/zinc/82/29/36/493822936.db2.gz GYCJOMIBWJVPSS-MRXNPFEDSA-N 1 0 373.478 3.469 50 5 FGBARO CC(=O)Nc1cc(NCC2([NH+](C)C)CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000032778776 494015520 /nfs/dbraw/zinc/01/55/20/494015520.db2.gz SOYHDIPOVOFYLV-UHFFFAOYSA-N 1 0 352.410 3.369 50 5 FGBARO COc1ccc(-c2c[n+](Cc3ccc([N+](=O)[O-])cc3)c3n2CCC3)cc1 ZINC000017252858 494410707 /nfs/dbraw/zinc/41/07/07/494410707.db2.gz SAPHOHSRXGZZMK-UHFFFAOYSA-N 1 0 350.398 3.354 50 5 FGBARO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000023105601 494549354 /nfs/dbraw/zinc/54/93/54/494549354.db2.gz OHLNIUAGXCFVTD-ZDUSSCGKSA-N 1 0 353.831 3.342 50 5 FGBARO O=[N+]([O-])c1ccc(C2=[N+]3CCCCCN3[C@@](O)(c3ccccc3)C2)cc1 ZINC000005738285 204222906 /nfs/dbraw/zinc/22/29/06/204222906.db2.gz COWBRUNJVSTFDB-FQEVSTJZSA-N 1 0 352.414 3.046 50 5 FGBARO CN1CCC([N@H+](C)C[C@@H](Nc2ncccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000058439954 205275522 /nfs/dbraw/zinc/27/55/22/205275522.db2.gz ZJQXIHGARKTEOR-GOSISDBHSA-N 1 0 369.469 3.169 50 5 FGBARO CC[NH+]1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc32)CC1 ZINC000001308482 132381608 /nfs/dbraw/zinc/38/16/08/132381608.db2.gz XNHIYBSIDZDIST-UHFFFAOYSA-N 1 0 363.421 3.347 50 5 FGBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NC1C2CC3CC(C2)CC1C3 ZINC000004675093 132387069 /nfs/dbraw/zinc/38/70/69/132387069.db2.gz DAJNKNXHCNKLJK-UHFFFAOYSA-N 1 0 356.470 3.241 50 5 FGBARO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+]1CCc2ccccc2C1 ZINC000029174547 493823137 /nfs/dbraw/zinc/82/31/37/493823137.db2.gz GYCJOMIBWJVPSS-INIZCTEOSA-N 1 0 373.478 3.469 50 5 FGBARO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000012776487 494257899 /nfs/dbraw/zinc/25/78/99/494257899.db2.gz QFUKBHFPDYXATQ-SFHVURJKSA-N 1 0 369.421 3.430 50 5 FGBARO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000095430322 494974768 /nfs/dbraw/zinc/97/47/68/494974768.db2.gz UFVFVONGLZTRAY-NSHDSACASA-N 1 0 363.801 3.206 50 5 FGBARO O=[N+]([O-])c1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)cc1 ZINC000002966491 204071228 /nfs/dbraw/zinc/07/12/28/204071228.db2.gz CTYCGHKGYOYMSM-HXUWFJFHSA-N 1 0 352.414 3.245 50 5 FGBARO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058429995 205276080 /nfs/dbraw/zinc/27/60/80/205276080.db2.gz CYMTZYRIVHBCFV-CYBMUJFWSA-N 1 0 352.822 3.340 50 5 FGBARO COc1c2c(cc3c1[C@@H](C[C@@H](O)c1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000001321673 206146872 /nfs/dbraw/zinc/14/68/72/206146872.db2.gz HKKUIVVPJZPTPV-IAGOWNOFSA-N 1 0 356.442 3.221 50 5 FGBARO COc1cccc(CN(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000007986989 206215143 /nfs/dbraw/zinc/21/51/43/206215143.db2.gz XDBMXMYXKJIWON-UHFFFAOYSA-N 1 0 363.801 3.327 50 5 FGBARO C[C@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccccc3)c2)C[C@H](C)[NH2+]1 ZINC000004117112 132386410 /nfs/dbraw/zinc/38/64/10/132386410.db2.gz VNGZFJXEGLRVGO-HOTGVXAUSA-N 1 0 370.453 3.272 50 5 FGBARO Cc1cccc(N2CC[NH+](CC[C@H](C)Nc3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000029621041 493847802 /nfs/dbraw/zinc/84/78/02/493847802.db2.gz LHQNUETZUAWDOK-KRWDZBQOSA-N 1 0 369.469 3.311 50 5 FGBARO COc1c2c(cc3c1[C@@H](Cc1ccc4c(c1)OCO4)[N+](C)(C)CC3)OCO2 ZINC000002187211 204028479 /nfs/dbraw/zinc/02/84/79/204028479.db2.gz VBSBKAJWAMDARP-OAHLLOKOSA-N 1 0 370.425 3.069 50 5 FGBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004524269 204144270 /nfs/dbraw/zinc/14/42/70/204144270.db2.gz QYHGDUIFCYJAES-HKUYNNGSSA-N 1 0 351.406 3.351 50 5 FGBARO C[C@@H]1CCC[C@](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000058182085 205255418 /nfs/dbraw/zinc/25/54/18/205255418.db2.gz XMLSTEQEGOPQSD-VLIAUNLRSA-N 1 0 374.485 3.409 50 5 FGBARO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000058245777 205267791 /nfs/dbraw/zinc/26/77/91/205267791.db2.gz LUKRCOSRGIBZJN-KGLIPLIRSA-N 1 0 351.422 3.251 50 5 FGBARO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000023197272 206406013 /nfs/dbraw/zinc/40/60/13/206406013.db2.gz PHNNDJIVMUPBKF-LJQANCHMSA-N 1 0 369.465 3.207 50 5 FGBARO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000095450529 494976218 /nfs/dbraw/zinc/97/62/18/494976218.db2.gz ODKSUZDWIYOZET-ZIAGYGMSSA-N 1 0 365.499 3.264 50 5 FGBARO CC[NH+](CC)CCCN1C(=O)[C@H](C)S[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000005046380 204186872 /nfs/dbraw/zinc/18/68/72/204186872.db2.gz LDBRLTOWTSAQJF-SUMWQHHRSA-N 1 0 351.472 3.289 50 5 FGBARO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000058182082 205255210 /nfs/dbraw/zinc/25/52/10/205255210.db2.gz XMLSTEQEGOPQSD-JLTOFOAXSA-N 1 0 374.485 3.409 50 5 FGBARO COc1ccc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000106149916 206013531 /nfs/dbraw/zinc/01/35/31/206013531.db2.gz WSZDEEVSLJCIAV-DZKIICNBSA-N 1 0 361.442 3.081 50 5 FGBARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000001404164 132381851 /nfs/dbraw/zinc/38/18/51/132381851.db2.gz RKEGZPGODGICGR-UHFFFAOYSA-N 1 0 374.828 3.252 50 5 FGBARO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177510 493823224 /nfs/dbraw/zinc/82/32/24/493823224.db2.gz DFSJENLFJUKTKN-SFHVURJKSA-N 1 0 353.422 3.091 50 5 FGBARO CC[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000029909618 493866604 /nfs/dbraw/zinc/86/66/04/493866604.db2.gz YVZJPSAXROZUOX-LJQANCHMSA-N 1 0 367.449 3.090 50 5 FGBARO CCc1cc(N2CC[N@H+](C)C[C@H]2C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000252507127 497308388 /nfs/dbraw/zinc/30/83/88/497308388.db2.gz YXIOJLILVYGCBX-SFHVURJKSA-N 1 0 369.469 3.391 50 5 FGBARO CC[N@@+]12CC[C@]34c5ccccc5N[C@]35[C@H](C)[C@](C[C@@H]5C(=O)OC)(CCC1)[C@@H]42 ZINC000245253735 523633966 /nfs/dbraw/zinc/63/39/66/523633966.db2.gz LZUBEVCHNPBHRZ-HMPOWLJOSA-N 1 0 367.513 3.321 50 5 FGBARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000054668620 205202243 /nfs/dbraw/zinc/20/22/43/205202243.db2.gz CVLKMPMJZUIVBF-KRWDZBQOSA-N 1 0 355.394 3.039 50 5 FGBARO Cc1ccc(NC(=O)C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000058178120 205255025 /nfs/dbraw/zinc/25/50/25/205255025.db2.gz PBKQFXLXPYNUEB-UHFFFAOYSA-N 1 0 368.437 3.191 50 5 FGBARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029838637 493860489 /nfs/dbraw/zinc/86/04/89/493860489.db2.gz WCCXGGDUFXNCKA-UHFFFAOYSA-N 1 0 373.840 3.426 50 5 FGBARO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c2[nH]c3ccc(O)cc3c(=O)c12 ZINC000033983599 494064162 /nfs/dbraw/zinc/06/41/62/494064162.db2.gz YPKPDBDMGLAMHB-UHFFFAOYSA-N 1 0 370.409 3.049 50 5 FGBARO CC1(C)CC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000012554624 494241054 /nfs/dbraw/zinc/24/10/54/494241054.db2.gz ZZTLIHJYHKWBHH-UHFFFAOYSA-N 1 0 360.458 3.208 50 5 FGBARO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095995139 494993763 /nfs/dbraw/zinc/99/37/63/494993763.db2.gz IOZZOXUFQQJALR-CRAIPNDOSA-N 1 0 353.422 3.235 50 5 FGBARO C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)c1cc3ccccc3oc1=O)CCC2 ZINC000252462696 525360573 /nfs/dbraw/zinc/36/05/73/525360573.db2.gz VKUSZJSOAHGCMP-CECAUBDESA-N 1 0 356.442 3.359 50 5 FGBARO O=C(CSc1ccsc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000020379533 527047649 /nfs/dbraw/zinc/04/76/49/527047649.db2.gz LCGLHEYICVGYHB-UHFFFAOYSA-N 1 0 369.512 3.225 50 5 FGBARO COc1cc(NC(=O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c(C)cc1[N+](=O)[O-] ZINC000005401802 204207641 /nfs/dbraw/zinc/20/76/41/204207641.db2.gz IJPRTHBNMXOOFU-UHFFFAOYSA-N 1 0 373.453 3.409 50 5 FGBARO C[N@@+]12CCCC[C@H]1[C@@H](COC(=O)[C@@H]1CC(=O)OC13CCCCC3)CCC2 ZINC000252441122 525360550 /nfs/dbraw/zinc/36/05/50/525360550.db2.gz HDFKGZFKCUTAIJ-MSQSPTIYSA-N 1 0 364.506 3.205 50 5 FGBARO O=c1cc(C[NH+]2CCC3(CC2)OCCO3)c2c(ccc3ccccc32)o1 ZINC000054220012 206782126 /nfs/dbraw/zinc/78/21/26/206782126.db2.gz OHFYARXGOMJXNH-UHFFFAOYSA-N 1 0 351.402 3.285 50 5 FGBARO C[N+](C)(CCCCCCCCCCCO)CCCN1C(=O)CCCC1=O ZINC000004184423 207006996 /nfs/dbraw/zinc/00/69/96/207006996.db2.gz OBTDFBLMBYNSIS-UHFFFAOYSA-N 1 0 369.570 3.495 50 5 FGBARO C[N+](C)(C)[C@H]1CCC[C@@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000817534 493775262 /nfs/dbraw/zinc/77/52/62/493775262.db2.gz KLNTZMJPRVVAFN-PMACEKPBSA-N 1 0 354.470 3.093 50 5 FGBARO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000058245774 493837644 /nfs/dbraw/zinc/83/76/44/493837644.db2.gz LUKRCOSRGIBZJN-UONOGXRCSA-N 1 0 351.422 3.251 50 5 FGBARO Cc1ccnc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000079064053 525690889 /nfs/dbraw/zinc/69/08/89/525690889.db2.gz BVMLQKCYOXNIIP-UHFFFAOYSA-N 1 0 374.416 3.393 50 5 FGBARO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000059394349 535218254 /nfs/dbraw/zinc/21/82/54/535218254.db2.gz SLIOQKKBWSUJPM-UHFFFAOYSA-N 1 0 350.419 3.451 50 5 FGBARO Nc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[N+](=O)[O-] ZINC000095462201 209053824 /nfs/dbraw/zinc/05/38/24/209053824.db2.gz BLXVXIOLYCATMQ-IBGZPJMESA-N 1 0 355.394 3.189 50 5 FGBARO COc1cc2c(cc1OC)[C@@H](C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000002139157 493802409 /nfs/dbraw/zinc/80/24/09/493802409.db2.gz XFFHLKFEYXGVGD-FZKQIMNGSA-N 1 0 372.421 3.265 50 5 FGBARO C[NH+](C)C[C@H]1CCCC[C@H]1OC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003181660 493832428 /nfs/dbraw/zinc/83/24/28/493832428.db2.gz NKTVEIOKRCFGBI-CZUORRHYSA-N 1 0 354.834 3.454 50 5 FGBARO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000029905870 493866662 /nfs/dbraw/zinc/86/66/62/493866662.db2.gz NVUCXRRTCDQFGN-UHFFFAOYSA-N 1 0 369.421 3.454 50 5 FGBARO COc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000017911473 494419607 /nfs/dbraw/zinc/41/96/07/494419607.db2.gz ZKLJCXWJOIPZTA-IBGZPJMESA-N 1 0 369.421 3.170 50 5 FGBARO Cc1cccc([N+]2=C3CCCCN3[C@@](O)(c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000002966472 206948662 /nfs/dbraw/zinc/94/86/62/206948662.db2.gz BIDXGONECMXQIS-FQEVSTJZSA-N 1 0 352.414 3.163 50 5 FGBARO Cc1cccc(OCCNc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c1 ZINC000004674073 132387113 /nfs/dbraw/zinc/38/71/13/132387113.db2.gz YUASKPYMGRGXGC-UHFFFAOYSA-N 1 0 370.453 3.146 50 5 FGBARO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177547 493823686 /nfs/dbraw/zinc/82/36/86/493823686.db2.gz URBWAMROKPQHEK-LJQANCHMSA-N 1 0 353.422 3.091 50 5 FGBARO C[NH+](C)C[C@@H]1CCCC[C@H]1OC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003181662 493832018 /nfs/dbraw/zinc/83/20/18/493832018.db2.gz NKTVEIOKRCFGBI-XJKSGUPXSA-N 1 0 354.834 3.454 50 5 FGBARO C[NH+](C)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009515698 494127368 /nfs/dbraw/zinc/12/73/68/494127368.db2.gz HGLRPICVHZNJHG-QGZVFWFLSA-N 1 0 359.451 3.106 50 5 FGBARO CCOC(=O)c1cnc2c3ccccc3ccc2c1NCCC[NH+](C)C ZINC000005958530 209446707 /nfs/dbraw/zinc/44/67/07/209446707.db2.gz UGHDYUBXCXCMFR-UHFFFAOYSA-N 1 0 351.450 3.350 50 5 FGBARO Cc1ccccc1[N+]1=C2CCCCN2[C@@](O)(c2cccc([N+](=O)[O-])c2)C1 ZINC000002966441 206948329 /nfs/dbraw/zinc/94/83/29/206948329.db2.gz CMLFUIRSCVLELF-FQEVSTJZSA-N 1 0 352.414 3.163 50 5 FGBARO C[NH+]1CCN(C(C)(C)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012561411 207394025 /nfs/dbraw/zinc/39/40/25/207394025.db2.gz AGNYKNKJPGNFHI-UHFFFAOYSA-N 1 0 360.380 3.052 50 5 FGBARO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000030001641 208000006 /nfs/dbraw/zinc/00/00/06/208000006.db2.gz KHZPVYUWVBFKNQ-GASCZTMLSA-N 1 0 356.426 3.211 50 5 FGBARO C[NH+](C)CCCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000032803826 208044513 /nfs/dbraw/zinc/04/45/13/208044513.db2.gz WAXLHYUTBGHNSX-UHFFFAOYSA-N 1 0 353.220 3.269 50 5 FGBARO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000000865248 493777516 /nfs/dbraw/zinc/77/75/16/493777516.db2.gz BFUYCBZDDJDIOZ-UHFFFAOYSA-N 1 0 350.422 3.394 50 5 FGBARO O=C(NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 ZINC000058162280 493829034 /nfs/dbraw/zinc/82/90/34/493829034.db2.gz WHEJWADXKPIBJH-UHFFFAOYSA-N 1 0 359.451 3.093 50 5 FGBARO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000030224130 493881273 /nfs/dbraw/zinc/88/12/73/493881273.db2.gz LFRRDVIHILNILU-RHSMWYFYSA-N 1 0 362.451 3.405 50 5 FGBARO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000053076306 494089619 /nfs/dbraw/zinc/08/96/19/494089619.db2.gz OAWKASZBGYROLI-QGZVFWFLSA-N 1 0 357.385 3.040 50 5 FGBARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000040118837 494134169 /nfs/dbraw/zinc/13/41/69/494134169.db2.gz ZCUOMGIPGMAYAV-GJZGRUSLSA-N 1 0 374.485 3.267 50 5 FGBARO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000012853477 494265769 /nfs/dbraw/zinc/26/57/69/494265769.db2.gz URZDIEITXLXIPT-LRDDRELGSA-N 1 0 355.394 3.208 50 5 FGBARO CC[N+](C)(CC)CCCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001998258 206899913 /nfs/dbraw/zinc/89/99/13/206899913.db2.gz KTEVOXBOOCOEEI-UHFFFAOYSA-N 1 0 356.486 3.342 50 5 FGBARO C[NH+](C)CCCNc1c2ccccc2n(-c2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000009183817 207259525 /nfs/dbraw/zinc/25/95/25/207259525.db2.gz RTYUUBDLKMOTMD-UHFFFAOYSA-N 1 0 366.421 3.263 50 5 FGBARO O=[N+]([O-])c1cccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c1 ZINC000000865125 493777505 /nfs/dbraw/zinc/77/75/05/493777505.db2.gz NSJGAMJROSRJSY-UHFFFAOYSA-N 1 0 350.422 3.394 50 5 FGBARO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1 ZINC000001178424 493788075 /nfs/dbraw/zinc/78/80/75/493788075.db2.gz FRDPWFKCNLNZJA-UHFFFAOYSA-N 1 0 357.410 3.454 50 5 FGBARO Cc1cccc(N2CC[NH+](CC[C@@H](C)Nc3ncccc3[N+](=O)[O-])CC2)c1 ZINC000029621039 493847753 /nfs/dbraw/zinc/84/77/53/493847753.db2.gz AIOUZGNRYVAWCT-QGZVFWFLSA-N 1 0 369.469 3.311 50 5 FGBARO C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000004585264 493883324 /nfs/dbraw/zinc/88/33/24/493883324.db2.gz DLLSHQSUYGUXJC-UHFFFAOYSA-N 1 0 370.434 3.413 50 5 FGBARO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000007923714 494052193 /nfs/dbraw/zinc/05/21/93/494052193.db2.gz KMALQSQLCPNGSP-UHFFFAOYSA-N 1 0 353.422 3.429 50 5 FGBARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000016779972 209600468 /nfs/dbraw/zinc/60/04/68/209600468.db2.gz VXFAXIOYRMBCCB-UHFFFAOYSA-N 1 0 371.437 3.375 50 5 FGBARO CNC(=O)c1ccc(NCCCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000048290363 209331168 /nfs/dbraw/zinc/33/11/68/209331168.db2.gz KIXOQARQMAMRCE-UHFFFAOYSA-N 1 0 362.474 3.413 50 5 FGBARO Cc1ccc([N+]2=C3CCCCN3[C@@](O)(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000002966204 206948668 /nfs/dbraw/zinc/94/86/68/206948668.db2.gz DHQNFGHXNPWLQT-FQEVSTJZSA-N 1 0 352.414 3.163 50 5 FGBARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000006416182 207139497 /nfs/dbraw/zinc/13/94/97/207139497.db2.gz KCIOYDFVOXCXHZ-LBPRGKRZSA-N 1 0 366.418 3.052 50 5 FGBARO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1C[NH+](C)C ZINC000006992979 207182993 /nfs/dbraw/zinc/18/29/93/207182993.db2.gz QAKTXTPARWDZBN-AWEZNQCLSA-N 1 0 373.478 3.453 50 5 FGBARO COc1cccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000010448510 207300505 /nfs/dbraw/zinc/30/05/05/207300505.db2.gz INKLOLBSSHTQMB-IBGZPJMESA-N 1 0 369.421 3.170 50 5 FGBARO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000095450528 209050697 /nfs/dbraw/zinc/05/06/97/209050697.db2.gz ODKSUZDWIYOZET-UONOGXRCSA-N 1 0 365.499 3.264 50 5 FGBARO Cc1ccc([N+]2=C3CCCCN3[C@](O)(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000002966207 493826884 /nfs/dbraw/zinc/82/68/84/493826884.db2.gz DHQNFGHXNPWLQT-HXUWFJFHSA-N 1 0 352.414 3.163 50 5 FGBARO CCOc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000058162921 493829327 /nfs/dbraw/zinc/82/93/27/493829327.db2.gz RYOSNUFGNJSMIG-AWEZNQCLSA-N 1 0 363.458 3.234 50 5 FGBARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000029931102 493868722 /nfs/dbraw/zinc/86/87/22/493868722.db2.gz STLOPNRRTWHGDK-ZGKFYVQTSA-N 1 0 357.385 3.166 50 5 FGBARO COc1ccc(NC(=O)CC[N@@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072305250 494150279 /nfs/dbraw/zinc/15/02/79/494150279.db2.gz IDIUXGRAFBTGHQ-MRXNPFEDSA-N 1 0 367.471 3.005 50 5 FGBARO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000054668622 494258285 /nfs/dbraw/zinc/25/82/85/494258285.db2.gz CVLKMPMJZUIVBF-QGZVFWFLSA-N 1 0 355.394 3.039 50 5 FGBARO COc1c2c(cc3c1[C@@H](CC(=O)c1ccccc1O)[N+](C)(C)CC3)OCO2 ZINC000001280397 209387112 /nfs/dbraw/zinc/38/71/12/209387112.db2.gz RYBYDQWAURPYRN-OAHLLOKOSA-O 1 0 370.425 3.076 50 5 FGBARO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000058202376 493833171 /nfs/dbraw/zinc/83/31/71/493833171.db2.gz QBLNITHVXAKASU-UHFFFAOYSA-N 1 0 354.410 3.149 50 5 FGBARO C[C@@H]1CCC[C@](CNC(=O)CCNc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000058305752 493843443 /nfs/dbraw/zinc/84/34/43/493843443.db2.gz HUGLCSUPPXVPJY-BEFAXECRSA-N 1 0 362.474 3.024 50 5 FGBARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000029838874 493861499 /nfs/dbraw/zinc/86/14/99/493861499.db2.gz AOOYWCJQNSNQJE-UHFFFAOYSA-N 1 0 373.840 3.426 50 5 FGBARO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000054318056 494220120 /nfs/dbraw/zinc/22/01/20/494220120.db2.gz RUSKLOQMJPQYOQ-UHFFFAOYSA-N 1 0 374.485 3.121 50 5 FGBARO CC[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000012557689 494242213 /nfs/dbraw/zinc/24/22/13/494242213.db2.gz HYDMGRXIMDAYST-JTQLQIEISA-N 1 0 362.308 3.418 50 5 FGBARO COc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000017911472 494419221 /nfs/dbraw/zinc/41/92/21/494419221.db2.gz ZKLJCXWJOIPZTA-LJQANCHMSA-N 1 0 369.421 3.170 50 5 FGBARO CCCC[N@H+](C)CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 ZINC000009608901 207278653 /nfs/dbraw/zinc/27/86/53/207278653.db2.gz UBXGUXLRGAITCS-UHFFFAOYSA-N 1 0 353.422 3.320 50 5 FGBARO CC[NH+](CC)CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000058342119 208580881 /nfs/dbraw/zinc/58/08/81/208580881.db2.gz NZVVRJHOGRXNDJ-UHFFFAOYSA-N 1 0 358.442 3.270 50 5 FGBARO CC[N+](CC)(CC)CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000002900788 493824594 /nfs/dbraw/zinc/82/45/94/493824594.db2.gz NNUQSMWXFXKSJC-UHFFFAOYSA-N 1 0 362.450 3.238 50 5 FGBARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000025329888 494724241 /nfs/dbraw/zinc/72/42/41/494724241.db2.gz XTYDOEWQTSLDNF-CQSZACIVSA-N 1 0 353.831 3.342 50 5 FGBARO CC[NH+](CC)CCCN1C(=O)[C@@H](C)S[C@H]1c1ccccc1[N+](=O)[O-] ZINC000005046369 695545376 /nfs/dbraw/zinc/54/53/76/695545376.db2.gz LDBRLTOWTSAQJF-DYVFJYSZSA-N 1 0 351.472 3.289 50 5 FGBARO CC[NH+](CC)CCCN1C(=O)[C@H](C)S[C@H]1c1ccccc1[N+](=O)[O-] ZINC000005046378 695545415 /nfs/dbraw/zinc/54/54/15/695545415.db2.gz LDBRLTOWTSAQJF-GUYCJALGSA-N 1 0 351.472 3.289 50 5 FGBARO COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000004026911 210228443 /nfs/dbraw/zinc/22/84/43/210228443.db2.gz XFFHLKFEYXGVGD-UGSOOPFHSA-N 1 0 372.421 3.265 50 5 FGBARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OC ZINC000019721021 211250953 /nfs/dbraw/zinc/25/09/53/211250953.db2.gz LLQYHDWSRWJKMH-UHFFFAOYSA-N 1 0 355.394 3.426 50 5 FGBARO CSc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000003343531 493840043 /nfs/dbraw/zinc/84/00/43/493840043.db2.gz BFLCIUJXJKSBTE-INIZCTEOSA-N 1 0 359.451 3.349 50 5 FGBARO COC(=O)c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000004347639 493874769 /nfs/dbraw/zinc/87/47/69/493874769.db2.gz CQUPMXOAKAQFED-UHFFFAOYSA-N 1 0 369.421 3.458 50 5 FGBARO Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004499200 493879523 /nfs/dbraw/zinc/87/95/23/493879523.db2.gz QXBWNAZYFDHMFX-UHFFFAOYSA-N 1 0 368.437 3.054 50 5 FGBARO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000054318025 494220174 /nfs/dbraw/zinc/22/01/74/494220174.db2.gz MFMGZYFCFIRXFH-UHFFFAOYSA-N 1 0 374.485 3.121 50 5 FGBARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000024238682 494613907 /nfs/dbraw/zinc/61/39/07/494613907.db2.gz UNFWLOOIGQHGAL-UHFFFAOYSA-N 1 0 369.425 3.299 50 5 FGBARO [NH3+]CCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004983954 210587194 /nfs/dbraw/zinc/58/71/94/210587194.db2.gz MFLXQOPYJKYSQH-UHFFFAOYSA-N 1 0 368.315 3.237 50 5 FGBARO CC[C@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000030224128 493881562 /nfs/dbraw/zinc/88/15/62/493881562.db2.gz LFRRDVIHILNILU-PBHICJAKSA-N 1 0 362.451 3.405 50 5 FGBARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000006205603 493955363 /nfs/dbraw/zinc/95/53/63/493955363.db2.gz DWTZEZQDUGIOQU-HNNXBMFYSA-N 1 0 358.423 3.463 50 5 FGBARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000006416175 493963082 /nfs/dbraw/zinc/96/30/82/493963082.db2.gz KCIOYDFVOXCXHZ-GFCCVEGCSA-N 1 0 366.418 3.052 50 5 FGBARO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047323388 494680509 /nfs/dbraw/zinc/68/05/09/494680509.db2.gz LMESMPHOEQLLFI-UHFFFAOYSA-N 1 0 369.425 3.084 50 5 FGBARO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000095450531 494975491 /nfs/dbraw/zinc/97/54/91/494975491.db2.gz ODKSUZDWIYOZET-KGLIPLIRSA-N 1 0 365.499 3.264 50 5 FGBARO COC(=O)[C@H]1C[C@@]23CCC[N@@+]4(C)CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]34 ZINC000252461460 523987847 /nfs/dbraw/zinc/98/78/47/523987847.db2.gz MQASNJGBUISRNK-HBWZGAHRSA-N 1 0 353.486 3.075 50 5 FGBARO COc1c2c(cc3c1[C@@H](C[C@H](O)Cc1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000001321435 219395032 /nfs/dbraw/zinc/39/50/32/219395032.db2.gz JAOCUZTUZCDYHK-QZTJIDSGSA-N 1 0 370.469 3.091 50 5 FGBARO CCCC[N+](C)(C)C[C@H]1C(=O)O[C@]23[C@@H]4O[C@]4(C)CC[C@H]2[C@H](C)CC[C@@H]13 ZINC000012863978 220036648 /nfs/dbraw/zinc/03/66/48/220036648.db2.gz XRMRHJDUMVLMMB-NHGFTMMOSA-N 1 0 350.523 3.388 50 5 FGBARO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccccc3)c2)C[C@H](C)[NH2+]1 ZINC000004117111 132386476 /nfs/dbraw/zinc/38/64/76/132386476.db2.gz VNGZFJXEGLRVGO-IYBDPMFKSA-N 1 0 370.453 3.272 50 5 FGBARO COc1ccccc1-c1nc2cc3c(cc2[nH]1)n(O)c1ccccc1[n+]3=O ZINC000048524474 493835536 /nfs/dbraw/zinc/83/55/36/493835536.db2.gz FTKXREPWSPJHDO-UHFFFAOYSA-N 1 0 359.365 3.498 50 5 FGBARO C[C@H]1C[NH+](Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000030001642 493873031 /nfs/dbraw/zinc/87/30/31/493873031.db2.gz KHZPVYUWVBFKNQ-GJZGRUSLSA-N 1 0 356.426 3.211 50 5 FGBARO O=[N+]([O-])c1ccc(SC[C@H](O)C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000004389997 493876212 /nfs/dbraw/zinc/87/62/12/493876212.db2.gz LRAWGVNKOSZBKC-OAHLLOKOSA-N 1 0 352.843 3.491 50 5 FGBARO Cc1ccc(NC(=O)c2ccc(N3CC[NH2+]CC3)c([N+](=O)[O-])c2)cc1Cl ZINC000004706806 493888805 /nfs/dbraw/zinc/88/88/05/493888805.db2.gz GBRPNGWQYJCSGI-UHFFFAOYSA-N 1 0 374.828 3.219 50 5 FGBARO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005041949 493909899 /nfs/dbraw/zinc/90/98/99/493909899.db2.gz BEJLWTTYSNDKFY-UHFFFAOYSA-N 1 0 354.410 3.381 50 5 FGBARO CC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)[N@@H+]1CCc2ccccc2C1 ZINC000032445939 493990454 /nfs/dbraw/zinc/99/04/54/493990454.db2.gz NBXAEFPQZBHLET-SFHVURJKSA-N 1 0 367.449 3.470 50 5 FGBARO CC[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000034889309 494069009 /nfs/dbraw/zinc/06/90/09/494069009.db2.gz LFRRDVIHILNILU-YOEHRIQHSA-N 1 0 362.451 3.405 50 5 FGBARO CN(C(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000025441753 494741285 /nfs/dbraw/zinc/74/12/85/494741285.db2.gz UZJHMNNGERKCNX-IBGZPJMESA-N 1 0 353.422 3.265 50 5 FGBARO C[C@H]1CCC[C@](CNC(=O)CCNc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000058305756 212003598 /nfs/dbraw/zinc/00/35/98/212003598.db2.gz HUGLCSUPPXVPJY-KXBFYZLASA-N 1 0 362.474 3.024 50 5 FGBARO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccsc1 ZINC000040089492 211721679 /nfs/dbraw/zinc/72/16/79/211721679.db2.gz KQIVZUBPYCLXAZ-MRXNPFEDSA-N 1 0 362.455 3.173 50 5 FGBARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000012772579 210989753 /nfs/dbraw/zinc/98/97/53/210989753.db2.gz BZAIVEQCDKUGAU-MRXNPFEDSA-N 1 0 365.792 3.420 50 5 FGBARO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1NC1CC1 ZINC000055219740 136126269 /nfs/dbraw/zinc/12/62/69/136126269.db2.gz VESFFKBVSZNRCB-UHFFFAOYSA-N 1 0 352.438 3.491 50 5 FGBARO COc1c2c(cc3c1[C@@H](CC(=O)c1cccs1)[N+](C)(C)CC3)OCO2 ZINC000001280354 493791139 /nfs/dbraw/zinc/79/11/39/493791139.db2.gz QDGLDIWXMNATGY-CYBMUJFWSA-N 1 0 360.455 3.432 50 5 FGBARO C[NH+](C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1cccs1 ZINC000028740028 493799559 /nfs/dbraw/zinc/79/95/59/493799559.db2.gz FCIUSNKDXQSVKB-INIZCTEOSA-N 1 0 374.466 3.263 50 5 FGBARO O=[N+]([O-])c1ccc(Cc2cc[n+](Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000004788894 493893078 /nfs/dbraw/zinc/89/30/78/493893078.db2.gz QOZSQKZQXLNUKI-UHFFFAOYSA-N 1 0 350.354 3.430 50 5 FGBARO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 ZINC000004998193 493906974 /nfs/dbraw/zinc/90/69/74/493906974.db2.gz ZPMCAZWGSIDYEB-UHFFFAOYSA-N 1 0 354.454 3.391 50 5 FGBARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000031662730 493954241 /nfs/dbraw/zinc/95/42/41/493954241.db2.gz NCWUXEUGADEKLS-UHFFFAOYSA-N 1 0 354.410 3.165 50 5 FGBARO COc1cc(CNc2[nH+]cc(-c3cccc([N+](=O)[O-])c3)n2C)ccc1O ZINC000006420960 493963042 /nfs/dbraw/zinc/96/30/42/493963042.db2.gz LTZZVLVVWSUOIL-UHFFFAOYSA-N 1 0 354.366 3.322 50 5 FGBARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000040118838 494134184 /nfs/dbraw/zinc/13/41/84/494134184.db2.gz ZCUOMGIPGMAYAV-HUUCEWRRSA-N 1 0 374.485 3.267 50 5 FGBARO C[N@+]12CCCC[C@H]1[C@@H](COC(=O)[C@@H]1CC(=O)OC13CCCCC3)CCC2 ZINC000252441121 525357059 /nfs/dbraw/zinc/35/70/59/525357059.db2.gz HDFKGZFKCUTAIJ-BZDHPDOMSA-N 1 0 364.506 3.205 50 5 FGBARO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000058245776 212000174 /nfs/dbraw/zinc/00/01/74/212000174.db2.gz LUKRCOSRGIBZJN-ZIAGYGMSSA-N 1 0 351.422 3.251 50 5 FGBARO Cc1ccccc1C(O)(c1ccccc1C)[C@H]1C[N+]2(CCO)CCC1CC2 ZINC000001260214 210339374 /nfs/dbraw/zinc/33/93/74/210339374.db2.gz SLCQLNSVRAOWMA-KOXWRSSLSA-N 1 0 366.525 3.388 50 5 FGBARO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000040107648 494133090 /nfs/dbraw/zinc/13/30/90/494133090.db2.gz HRZCCWAHWRNWFR-UHFFFAOYSA-N 1 0 371.437 3.245 50 5 FGBARO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000012643672 494249077 /nfs/dbraw/zinc/24/90/77/494249077.db2.gz WBRKJPBRUIWFTO-IBGZPJMESA-N 1 0 368.437 3.202 50 5 FGBARO C[N@+]12CCCC[C@H]1[C@@H](COC(=O)c1cc3ccccc3oc1=O)CCC2 ZINC000253488009 525357354 /nfs/dbraw/zinc/35/73/54/525357354.db2.gz VKUSZJSOAHGCMP-TVTNDZMWSA-N 1 0 356.442 3.359 50 5 FGBARO CN1CCC([N@H+](C)C[C@H](Nc2ncccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000058439952 212010284 /nfs/dbraw/zinc/01/02/84/212010284.db2.gz ZJQXIHGARKTEOR-SFHVURJKSA-N 1 0 369.469 3.169 50 5 FGBARO C[C@H]1CCC[C@@](CNC(=O)CCNc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000058305749 212003377 /nfs/dbraw/zinc/00/33/77/212003377.db2.gz HUGLCSUPPXVPJY-HNAYVOBHSA-N 1 0 362.474 3.024 50 5 FGBARO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000023409292 211389667 /nfs/dbraw/zinc/38/96/67/211389667.db2.gz RXHJXHYWDLEDAX-HOTGVXAUSA-N 1 0 371.220 3.086 50 5 FGBARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003552993 132385448 /nfs/dbraw/zinc/38/54/48/132385448.db2.gz JWDPJXGDDGSJJO-UHFFFAOYSA-N 1 0 374.828 3.252 50 5 FGBARO COc1c2c(cc3c1[C@@H](C[C@H](O)c1ccc(F)cc1)[N+](C)(C)CC3)OCO2 ZINC000001280349 493791700 /nfs/dbraw/zinc/79/17/00/493791700.db2.gz LFTCLXCGXVOXPN-SJORKVTESA-N 1 0 374.432 3.360 50 5 FGBARO [NH2+]=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000003161150 493832007 /nfs/dbraw/zinc/83/20/07/493832007.db2.gz JVRPWLOOKHUCII-UHFFFAOYSA-N 1 0 359.167 3.011 50 5 FGBARO CCc1cc(N2CCC[C@@H]2C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000079096129 494403819 /nfs/dbraw/zinc/40/38/19/494403819.db2.gz MORXAOHOEWMMBX-QGZVFWFLSA-N 1 0 355.442 3.145 50 5 FGBARO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000047323248 494681059 /nfs/dbraw/zinc/68/10/59/494681059.db2.gz FVWBGHKMAOKKOJ-UHFFFAOYSA-N 1 0 369.425 3.084 50 5 FGBARO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000026715789 494836140 /nfs/dbraw/zinc/83/61/40/494836140.db2.gz DUTCOQCMGFTIBO-LPHOPBHVSA-N 1 0 360.410 3.084 50 5 FGBARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000095430323 494974897 /nfs/dbraw/zinc/97/48/97/494974897.db2.gz UFVFVONGLZTRAY-LLVKDONJSA-N 1 0 363.801 3.206 50 5 FGBARO O=[N+]([O-])c1ccc2cnn(CN3CCC(C[NH+]4CCCCCC4)CC3)c2c1 ZINC000048285875 570942726 /nfs/dbraw/zinc/94/27/26/570942726.db2.gz LTOHWJNXVXSHFV-UHFFFAOYSA-N 1 0 371.485 3.490 50 5 FGBARO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000029911665 211518579 /nfs/dbraw/zinc/51/85/79/211518579.db2.gz KSRDSIBKPJSCOT-UHFFFAOYSA-N 1 0 369.421 3.454 50 5 FGBARO CC[NH+](CC)Cc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000016779856 211169637 /nfs/dbraw/zinc/16/96/37/211169637.db2.gz KDLDKMKCQZHACO-UHFFFAOYSA-N 1 0 371.437 3.132 50 5 FGBARO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000000819163 210276003 /nfs/dbraw/zinc/27/60/03/210276003.db2.gz VWLBNWZEIUDMLD-UHFFFAOYSA-N 1 0 352.350 3.336 50 5 FGBARO CC[NH+](CC)Cc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000032914260 494027315 /nfs/dbraw/zinc/02/73/15/494027315.db2.gz OIHFXLUUUOHAAJ-UHFFFAOYSA-N 1 0 370.453 3.279 50 5 FGBARO Cc1ccnc(NC(=O)C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000058163547 221101874 /nfs/dbraw/zinc/10/18/74/221101874.db2.gz ZGJJYRUUCQYTBQ-UHFFFAOYSA-N 1 0 368.437 3.191 50 5 FGBARO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000029341554 493834708 /nfs/dbraw/zinc/83/47/08/493834708.db2.gz YLARUHRZOASSCC-UHFFFAOYSA-N 1 0 357.410 3.350 50 5 FGBARO COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]34 ZINC000252461461 523787718 /nfs/dbraw/zinc/78/77/18/523787718.db2.gz MQASNJGBUISRNK-SIMOJZIWSA-N 1 0 353.486 3.075 50 5 FGBARO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000047323052 220992995 /nfs/dbraw/zinc/99/29/95/220992995.db2.gz AMBKBXDOPREWEW-UHFFFAOYSA-N 1 0 360.389 3.330 50 5 FGBARO C[NH+]1CCN(c2ccc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)CC1 ZINC000002187329 132382732 /nfs/dbraw/zinc/38/27/32/132382732.db2.gz JKFPYCPVEMTUAU-UHFFFAOYSA-N 1 0 374.422 3.406 50 5 FGBARO Cc1cccc(N2CC[NH+](CC[C@@H](C)Nc3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000029621043 493847937 /nfs/dbraw/zinc/84/79/37/493847937.db2.gz LHQNUETZUAWDOK-QGZVFWFLSA-N 1 0 369.469 3.311 50 5 FGBARO C[C@H](CCc1ccc(O)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004981298 493905604 /nfs/dbraw/zinc/90/56/04/493905604.db2.gz DGTYZWPUJOENPT-MRXNPFEDSA-N 1 0 355.438 3.444 50 5 FGBARO C[N@H+](CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000040043402 494127630 /nfs/dbraw/zinc/12/76/30/494127630.db2.gz QMZBYWIDSWREIY-OUKQBFOZSA-N 1 0 353.422 3.246 50 5 FGBARO CC[N@+]12CC[C@]34c5ccccc5N[C@@]35[C@H](C)[C@@](C[C@H]5C(=O)OC)(CCC1)[C@@H]42 ZINC000252461408 523633671 /nfs/dbraw/zinc/63/36/71/523633671.db2.gz LZUBEVCHNPBHRZ-TYDRPYGPSA-N 1 0 367.513 3.321 50 5 FGBARO CC[N@@+]12CC[C@]34c5ccccc5N[C@@]35[C@H](C)[C@@](C[C@H]5C(=O)OC)(CCC1)[C@@H]42 ZINC000252461409 523634124 /nfs/dbraw/zinc/63/41/24/523634124.db2.gz LZUBEVCHNPBHRZ-ZBDNWSBISA-N 1 0 367.513 3.321 50 5 FGBARO Cc1c(C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000052829142 221040966 /nfs/dbraw/zinc/04/09/66/221040966.db2.gz CREXDSCSVUDQSF-UHFFFAOYSA-N 1 0 354.410 3.149 50 5 FGBARO Cc1ccc([N+](=O)[O-])c(OCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000002880030 493824345 /nfs/dbraw/zinc/82/43/45/493824345.db2.gz VDEHCCRDIPENOS-UHFFFAOYSA-N 1 0 369.465 3.490 50 5 FGBARO Cc1ccc([N+](=O)[O-])c(OCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000004832096 493894117 /nfs/dbraw/zinc/89/41/17/493894117.db2.gz WZVBDFDTVKCTOE-UHFFFAOYSA-N 1 0 355.438 3.100 50 5 FGBARO CC(=O)c1ccc(NCC2(N3CCCCC3)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078457560 494299230 /nfs/dbraw/zinc/29/92/30/494299230.db2.gz SFVKZPCHGUVUBX-UHFFFAOYSA-N 1 0 374.485 3.160 50 5 FGBARO CCc1cc(N2CCC[C@H]2C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000079096134 494404088 /nfs/dbraw/zinc/40/40/88/494404088.db2.gz MORXAOHOEWMMBX-KRWDZBQOSA-N 1 0 355.442 3.145 50 5 FGBARO Cc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000025629818 494763958 /nfs/dbraw/zinc/76/39/58/494763958.db2.gz ZCYZOMRFWHAORR-OAHLLOKOSA-N 1 0 353.422 3.080 50 5 FGBARO COc1c2c(cc3c1[C@@H](C[C@@H](O)Cc1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000001321437 219394752 /nfs/dbraw/zinc/39/47/52/219394752.db2.gz JAOCUZTUZCDYHK-ZWKOTPCHSA-N 1 0 370.469 3.091 50 5 FGBARO Cc1nn(CC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000002765048 219463451 /nfs/dbraw/zinc/46/34/51/219463451.db2.gz LSCTYNUPCQKEFU-UHFFFAOYSA-N 1 0 371.441 3.033 50 5 FGBARO C[NH+](C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1cccs1 ZINC000028740033 493799495 /nfs/dbraw/zinc/79/94/95/493799495.db2.gz FCIUSNKDXQSVKB-MRXNPFEDSA-N 1 0 374.466 3.263 50 5 FGBARO O=[N+]([O-])c1ccccc1CN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000002501684 493810199 /nfs/dbraw/zinc/81/01/99/493810199.db2.gz WKXMREPQLQSTHK-UHFFFAOYSA-N 1 0 350.422 3.394 50 5 FGBARO O=[N+]([O-])c1ccc(SC[C@@H](O)C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000004389996 493876244 /nfs/dbraw/zinc/87/62/44/493876244.db2.gz LRAWGVNKOSZBKC-HNNXBMFYSA-N 1 0 352.843 3.491 50 5 FGBARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)CC1 ZINC000004678194 493886425 /nfs/dbraw/zinc/88/64/25/493886425.db2.gz SVNJFOQOSOQRGY-UHFFFAOYSA-N 1 0 368.437 3.297 50 5 FGBARO CC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000032445817 493990398 /nfs/dbraw/zinc/99/03/98/493990398.db2.gz BPHRVRJRKZIMQA-SFHVURJKSA-N 1 0 353.422 3.162 50 5 FGBARO Cc1ccccc1[N+]1=C2CCCCN2[C@](O)(c2cccc([N+](=O)[O-])c2)C1 ZINC000002966443 219478047 /nfs/dbraw/zinc/47/80/47/219478047.db2.gz CMLFUIRSCVLELF-HXUWFJFHSA-N 1 0 352.414 3.163 50 5 FGBARO O=[N+]([O-])c1cccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)c1 ZINC000002966493 219478762 /nfs/dbraw/zinc/47/87/62/219478762.db2.gz DFVARFBHQAGLAR-FQEVSTJZSA-N 1 0 352.414 3.245 50 5 FGBARO Cc1ccnc(NC(=O)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000058165932 221101591 /nfs/dbraw/zinc/10/15/91/221101591.db2.gz SHRZEJBBWMUQJU-UHFFFAOYSA-N 1 0 368.437 3.457 50 5 FGBARO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000097165437 222165983 /nfs/dbraw/zinc/16/59/83/222165983.db2.gz KKSLMRBQJFQEHV-HXUWFJFHSA-N 1 0 353.422 3.379 50 5 FGBARO Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000004757943 493892328 /nfs/dbraw/zinc/89/23/28/493892328.db2.gz DJMUDSFKCBFGGG-UHFFFAOYSA-N 1 0 374.828 3.219 50 5 FGBARO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000006548546 493966935 /nfs/dbraw/zinc/96/69/35/493966935.db2.gz WINNAKHIQUIPDH-SFHVURJKSA-N 1 0 357.413 3.190 50 5 FGBARO CCOc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000040121345 494134560 /nfs/dbraw/zinc/13/45/60/494134560.db2.gz GTJSLUJJGPHFPV-HUUCEWRRSA-N 1 0 363.458 3.091 50 5 FGBARO O=C(CN1CCC[C@@H]1c1cccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000253419926 497332898 /nfs/dbraw/zinc/33/28/98/497332898.db2.gz MAKHCAYXXAFDAR-OAHLLOKOSA-N 1 0 360.801 3.419 50 5 FGBARO CC[N@@+]12CC[C@]34c5ccccc5N[C@]35[C@@H](C)[C@](C[C@@H]5C(=O)OC)(CCC1)[C@@H]42 ZINC000245253734 523632159 /nfs/dbraw/zinc/63/21/59/523632159.db2.gz LZUBEVCHNPBHRZ-DCSPWCNXSA-N 1 0 367.513 3.321 50 5 FGBARO O=C(Nc1ccccc1)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055032661 221057714 /nfs/dbraw/zinc/05/77/14/221057714.db2.gz VVRZPKKKAXXGDG-UHFFFAOYSA-N 1 0 368.437 3.423 50 5 FGBARO COc1c2c(cc3c1[C@H](Cc1ccc4c(c1)OCO4)[N+](C)(C)CC3)OCO2 ZINC000002187212 493802333 /nfs/dbraw/zinc/80/23/33/493802333.db2.gz VBSBKAJWAMDARP-HNNXBMFYSA-N 1 0 370.425 3.069 50 5 FGBARO C[C@H](CCc1ccccc1)Nc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000004687362 493886942 /nfs/dbraw/zinc/88/69/42/493886942.db2.gz KZLJTSGHAWLPDM-MRXNPFEDSA-N 1 0 354.454 3.438 50 5 FGBARO C[C@@H](CCc1ccc(O)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004981296 493906160 /nfs/dbraw/zinc/90/61/60/493906160.db2.gz DGTYZWPUJOENPT-INIZCTEOSA-N 1 0 355.438 3.444 50 5 FGBARO CC[NH+](CC)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CC(C)C ZINC000029840013 493861555 /nfs/dbraw/zinc/86/15/55/493861555.db2.gz LADRSJFZCPHZJZ-AWEZNQCLSA-N 1 0 371.503 3.167 50 5 FGBARO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000032848472 494022111 /nfs/dbraw/zinc/02/21/11/494022111.db2.gz RXFTUKCGNZNPKN-VAWYXSNFSA-N 1 0 365.433 3.343 50 5 FGBARO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3c[nH]c4ccccc34)CC2)cc1 ZINC000096345803 132224975 /nfs/dbraw/zinc/22/49/75/132224975.db2.gz SYMRWXIQDQRRJI-UHFFFAOYSA-N 1 0 350.422 3.441 50 5 FGBARO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(Sc3nc4ccccc4[nH]3)c2)CC1 ZINC000003876205 132385861 /nfs/dbraw/zinc/38/58/61/132385861.db2.gz KIARFLACFIUZAE-UHFFFAOYSA-N 1 0 369.450 3.374 50 5 FGBARO COc1c2c(cc3c1[C@H](CC(=O)c1cccs1)[N+](C)(C)CC3)OCO2 ZINC000001280355 493791822 /nfs/dbraw/zinc/79/18/22/493791822.db2.gz QDGLDIWXMNATGY-ZDUSSCGKSA-N 1 0 360.455 3.432 50 5 FGBARO C[NH+](C)CCCN(C(=O)c1ccc([N+](=O)[O-])o1)c1nc2ccccc2s1 ZINC000004585327 493883686 /nfs/dbraw/zinc/88/36/86/493883686.db2.gz QOZXGPZEBPEQDT-UHFFFAOYSA-N 1 0 374.422 3.396 50 5 FGBARO COc1cc2c(cc1OC)[C@@H](C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000005275492 493923140 /nfs/dbraw/zinc/92/31/40/493923140.db2.gz XFFHLKFEYXGVGD-ACJLOTCBSA-N 1 0 372.421 3.265 50 5 FGBARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000010917416 494165147 /nfs/dbraw/zinc/16/51/47/494165147.db2.gz SXWFISFEOYYMJC-IBGZPJMESA-N 1 0 371.437 3.416 50 5 FGBARO CC[NH+](CC)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000023197275 494555451 /nfs/dbraw/zinc/55/54/51/494555451.db2.gz PHNNDJIVMUPBKF-IBGZPJMESA-N 1 0 369.465 3.207 50 5 FGBARO COc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000024566641 494640851 /nfs/dbraw/zinc/64/08/51/494640851.db2.gz MFKGTOLISANJQA-AWEZNQCLSA-N 1 0 364.427 3.089 50 5 FGBARO CC[NH+](CC)Cc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000024928650 494681159 /nfs/dbraw/zinc/68/11/59/494681159.db2.gz PCXHNNYCQIWHSL-UHFFFAOYSA-N 1 0 357.410 3.454 50 5 FGBARO CN(C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000025441750 494740115 /nfs/dbraw/zinc/74/01/15/494740115.db2.gz UZJHMNNGERKCNX-LJQANCHMSA-N 1 0 353.422 3.265 50 5 FGBARO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000095450530 494975975 /nfs/dbraw/zinc/97/59/75/494975975.db2.gz ODKSUZDWIYOZET-KBPBESRZSA-N 1 0 365.499 3.264 50 5 FGBARO O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000058115523 221097960 /nfs/dbraw/zinc/09/79/60/221097960.db2.gz NCUVDWRHQBZLPO-UHFFFAOYSA-N 1 0 372.768 3.451 50 5 FGBARO CC[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000029909614 493866184 /nfs/dbraw/zinc/86/61/84/493866184.db2.gz YVZJPSAXROZUOX-IBGZPJMESA-N 1 0 367.449 3.090 50 5 FGBARO CC[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)[N@@H+]1CCc2ccccc2C1 ZINC000032445940 493989980 /nfs/dbraw/zinc/98/99/80/493989980.db2.gz NBXAEFPQZBHLET-GOSISDBHSA-N 1 0 367.449 3.470 50 5 FGBARO CC(C)[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000012561413 494242504 /nfs/dbraw/zinc/24/25/04/494242504.db2.gz IYYGHYKYAYYIFR-MRXNPFEDSA-N 1 0 374.407 3.298 50 5 FGBARO C[C@@H]([NH2+]Cc1ccc(N)c([N+](=O)[O-])c1)c1ccc(N2CCCC2=O)cc1 ZINC000095462204 494976850 /nfs/dbraw/zinc/97/68/50/494976850.db2.gz RQLWJMYZALJNIV-CYBMUJFWSA-N 1 0 354.410 3.155 50 5 FGBARO O=[N+]([O-])c1cccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)c1 ZINC000002966495 204071757 /nfs/dbraw/zinc/07/17/57/204071757.db2.gz DFVARFBHQAGLAR-HXUWFJFHSA-N 1 0 352.414 3.245 50 5 FGBARO Cc1ccc(C(=O)NCCC[NH+](C)C)c([N+](=O)[O-])c1OCc1ccccc1 ZINC000003200356 204082480 /nfs/dbraw/zinc/08/24/80/204082480.db2.gz VPWOFMNXKCOCOB-UHFFFAOYSA-N 1 0 371.437 3.164 50 5 FGBARO Cn1c(-c2ccccc2)c[nH+]c1NCc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000819071 493775122 /nfs/dbraw/zinc/77/51/22/493775122.db2.gz ZVLCZVJEFZDCAZ-UHFFFAOYSA-N 1 0 352.350 3.336 50 5 FGBARO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000026715785 494835355 /nfs/dbraw/zinc/83/53/55/494835355.db2.gz DUTCOQCMGFTIBO-QFBILLFUSA-N 1 0 360.410 3.084 50 5 FGBARO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095995138 494993961 /nfs/dbraw/zinc/99/39/61/494993961.db2.gz IOZZOXUFQQJALR-MAUKXSAKSA-N 1 0 353.422 3.235 50 5 FGBARO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058429993 205276134 /nfs/dbraw/zinc/27/61/34/205276134.db2.gz CYMTZYRIVHBCFV-ZDUSSCGKSA-N 1 0 352.822 3.340 50 5 FGBARO CN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)C1CC[NH+](C)CC1 ZINC000016552652 206319319 /nfs/dbraw/zinc/31/93/19/206319319.db2.gz QOCWTGDQMLNKSR-UHFFFAOYSA-N 1 0 350.418 3.112 50 5 FGBARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000004757954 493892344 /nfs/dbraw/zinc/89/23/44/493892344.db2.gz KKCQPBIMZSCUIO-UHFFFAOYSA-N 1 0 374.828 3.252 50 5 FGBARO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032445861 493990164 /nfs/dbraw/zinc/99/01/64/493990164.db2.gz IZFJBMXJYVMCKD-SFHVURJKSA-N 1 0 353.422 3.162 50 5 FGBARO Cc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000032936020 494030521 /nfs/dbraw/zinc/03/05/21/494030521.db2.gz KCJAZUYHECQWBJ-UHFFFAOYSA-N 1 0 353.422 3.298 50 5 FGBARO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000009992133 204388666 /nfs/dbraw/zinc/38/86/66/204388666.db2.gz FRIVWWZKAAAEMK-UHFFFAOYSA-N 1 0 369.421 3.129 50 5 FGBARO COc1ccc(NC(=O)NC[C@H](CC(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000024830221 204825031 /nfs/dbraw/zinc/82/50/31/204825031.db2.gz CAVDIPHMCOMVJZ-AWEZNQCLSA-N 1 0 364.446 3.235 50 5 FGBARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)nc1 ZINC000058178116 205255161 /nfs/dbraw/zinc/25/51/61/205255161.db2.gz QIZGLZOIIGLZMW-UHFFFAOYSA-N 1 0 368.437 3.457 50 5 FGBARO COc1c2c(cc3c1[C@@H](C[C@@H](O)c1ccc(F)cc1)[N+](C)(C)CC3)OCO2 ZINC000001280351 206147123 /nfs/dbraw/zinc/14/71/23/206147123.db2.gz LFTCLXCGXVOXPN-IAGOWNOFSA-N 1 0 374.432 3.360 50 5 FGBARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 ZINC000022405504 206378273 /nfs/dbraw/zinc/37/82/73/206378273.db2.gz OOPPDZWZMGWQQA-ZDUSSCGKSA-N 1 0 353.831 3.342 50 5 FGBARO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000009367828 132378749 /nfs/dbraw/zinc/37/87/49/132378749.db2.gz MODPQTRBPXLMJL-UHFFFAOYSA-N 1 0 368.437 3.297 50 5 FGBARO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032445862 493989973 /nfs/dbraw/zinc/98/99/73/493989973.db2.gz IZFJBMXJYVMCKD-GOSISDBHSA-N 1 0 353.422 3.162 50 5 FGBARO CC(C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000027110326 494852954 /nfs/dbraw/zinc/85/29/54/494852954.db2.gz XMZUJLQBGQJRCH-UHFFFAOYSA-N 1 0 370.247 3.416 50 5 FGBARO COc1c2c(cc3c1[C@H](C[C@H](O)c1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000001321672 206146070 /nfs/dbraw/zinc/14/60/70/206146070.db2.gz HKKUIVVPJZPTPV-IRXDYDNUSA-N 1 0 356.442 3.221 50 5 FGBARO COc1c2c(cc3c1[C@H](C[C@H](O)c1ccc(F)cc1)[N+](C)(C)CC3)OCO2 ZINC000001280350 206147317 /nfs/dbraw/zinc/14/73/17/206147317.db2.gz LFTCLXCGXVOXPN-IRXDYDNUSA-N 1 0 374.432 3.360 50 5 FGBARO Cc1ccccc1C(O)(c1ccccc1C)[C@@H]1C[N+]2(CCO)CCC1CC2 ZINC000001260215 493791977 /nfs/dbraw/zinc/79/19/77/493791977.db2.gz SLCQLNSVRAOWMA-JKJRPBHFSA-N 1 0 366.525 3.388 50 5 FGBARO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2)C[C@H](C)O1 ZINC000030001617 493872823 /nfs/dbraw/zinc/87/28/23/493872823.db2.gz XXKIGIDULQUANZ-GASCZTMLSA-N 1 0 356.426 3.211 50 5 FGBARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000004703974 493888604 /nfs/dbraw/zinc/88/86/04/493888604.db2.gz FMYSBFLRSILCAS-UHFFFAOYSA-N 1 0 374.828 3.252 50 5 FGBARO Cc1cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000032398863 493984491 /nfs/dbraw/zinc/98/44/91/493984491.db2.gz FTTZIUXNEPFNBY-UHFFFAOYSA-N 1 0 353.422 3.081 50 5 FGBARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000040157213 494137713 /nfs/dbraw/zinc/13/77/13/494137713.db2.gz KXTCWPIZLCMTRO-UHFFFAOYSA-N 1 0 360.389 3.330 50 5 FGBARO COc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000024566638 204819454 /nfs/dbraw/zinc/81/94/54/204819454.db2.gz MFKGTOLISANJQA-CQSZACIVSA-N 1 0 364.427 3.089 50 5 FGBARO CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000059734037 205282261 /nfs/dbraw/zinc/28/22/61/205282261.db2.gz KYQXSQBDVRXVAJ-UHFFFAOYSA-N 1 0 374.485 3.363 50 5 FGBARO O=[N+]([O-])c1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccccc2)cc1 ZINC000001800412 206150628 /nfs/dbraw/zinc/15/06/28/206150628.db2.gz PCTVAHVAXIHEKP-FQEVSTJZSA-N 1 0 352.414 3.245 50 5 FGBARO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000012349068 206290332 /nfs/dbraw/zinc/29/03/32/206290332.db2.gz VRHKEGRDZJEWMX-CQSZACIVSA-N 1 0 353.831 3.342 50 5 FGBARO C[C@@H]1C[NH+](Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000030001640 493872955 /nfs/dbraw/zinc/87/29/55/493872955.db2.gz KHZPVYUWVBFKNQ-HUUCEWRRSA-N 1 0 356.426 3.211 50 5 FGBARO C[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-n2ccnc2)cc1 ZINC000023994846 494595363 /nfs/dbraw/zinc/59/53/63/494595363.db2.gz ISNFJJLNHHFZGK-CYBMUJFWSA-N 1 0 366.377 3.360 50 5 FGBARO COC(=O)[C@@H](C)C[N@H+](Cc1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000096003606 494995388 /nfs/dbraw/zinc/99/53/88/494995388.db2.gz PCGQAVHGWWBIRW-JTQLQIEISA-N 1 0 371.231 3.131 50 5 FGBARO Cc1cc(N[C@H](c2nncn2C)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000253418340 497332976 /nfs/dbraw/zinc/33/29/76/497332976.db2.gz OMRFWCYMNDDFLO-INIZCTEOSA-N 1 0 367.413 3.298 50 5 FGBARO COC(=O)[C@@H]1C[C@@]23CCC[N@@+]4(C)CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]34 ZINC000252461459 523788095 /nfs/dbraw/zinc/78/80/95/523788095.db2.gz MQASNJGBUISRNK-BRGPDVKFSA-N 1 0 353.486 3.075 50 5 FGBARO O=[N+]([O-])c1cccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccccc2)c1 ZINC000001189446 203992048 /nfs/dbraw/zinc/99/20/48/203992048.db2.gz SJDNLZSCVSEYLG-HXUWFJFHSA-N 1 0 352.414 3.245 50 5 FGBARO O=[N+]([O-])c1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)cc1 ZINC000002966489 204071148 /nfs/dbraw/zinc/07/11/48/204071148.db2.gz CTYCGHKGYOYMSM-FQEVSTJZSA-N 1 0 352.414 3.245 50 5 FGBARO [NH3+]CCNc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000004997391 204183183 /nfs/dbraw/zinc/18/31/83/204183183.db2.gz LPRATTKZRMGXBQ-UHFFFAOYSA-N 1 0 368.315 3.237 50 5 FGBARO CCCC[N+](C)(C)C[C@@H]1C(=O)O[C@]23[C@@H]4O[C@]4(C)CC[C@H]2[C@H](C)CC[C@@H]13 ZINC000004073256 206166561 /nfs/dbraw/zinc/16/65/61/206166561.db2.gz XRMRHJDUMVLMMB-WHCUZVCWSA-N 1 0 350.523 3.388 50 5 FGBARO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177546 493823193 /nfs/dbraw/zinc/82/31/93/493823193.db2.gz URBWAMROKPQHEK-IBGZPJMESA-N 1 0 353.422 3.091 50 5 FGBARO COC(=O)C1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000006662055 493972898 /nfs/dbraw/zinc/97/28/98/493972898.db2.gz QEWYSVBHWJLEGY-UHFFFAOYSA-N 1 0 351.402 3.331 50 5 FGBARO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccsc1 ZINC000040089491 494131173 /nfs/dbraw/zinc/13/11/73/494131173.db2.gz KQIVZUBPYCLXAZ-INIZCTEOSA-N 1 0 362.455 3.173 50 5 FGBARO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000012853462 494265944 /nfs/dbraw/zinc/26/59/44/494265944.db2.gz URZDIEITXLXIPT-MLGOLLRUSA-N 1 0 355.394 3.208 50 5 FGBARO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1nc2ccccc2s1 ZINC000004585276 206179381 /nfs/dbraw/zinc/17/93/81/206179381.db2.gz FCACQZQVFUEBQK-UHFFFAOYSA-N 1 0 360.395 3.006 50 5 FGBARO CCCC[N+](C)(C)C[C@@H]1C(=O)O[C@]23[C@@H]4O[C@]4(C)CC[C@@H]2[C@H](C)CC[C@@H]13 ZINC000103163638 206232683 /nfs/dbraw/zinc/23/26/83/206232683.db2.gz XRMRHJDUMVLMMB-HWPXFKOISA-N 1 0 350.523 3.388 50 5 FGBARO CCCC[N+](C)(C)C[C@@H]1C(=O)O[C@]23[C@@H]4O[C@]4(C)CC[C@H]2[C@H](C)CC[C@H]13 ZINC000017208206 206321156 /nfs/dbraw/zinc/32/11/56/206321156.db2.gz XRMRHJDUMVLMMB-IANXBKLKSA-N 1 0 350.523 3.388 50 5 FGBARO C[C@@H]1C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2)C[C@@H](C)O1 ZINC000030001616 493873047 /nfs/dbraw/zinc/87/30/47/493873047.db2.gz XXKIGIDULQUANZ-HUUCEWRRSA-N 1 0 356.426 3.211 50 5 FGBARO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000010917419 494165166 /nfs/dbraw/zinc/16/51/66/494165166.db2.gz SXWFISFEOYYMJC-LJQANCHMSA-N 1 0 371.437 3.416 50 5 FGBARO COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000024771956 494664275 /nfs/dbraw/zinc/66/42/75/494664275.db2.gz IFXXCQLXCXKZJD-GOSISDBHSA-N 1 0 373.409 3.105 50 5 FGBARO O=[N+]([O-])c1c(NC2CC[NH+](Cc3ccccc3)CC2)nc2sccn21 ZINC000008309055 204324442 /nfs/dbraw/zinc/32/44/42/204324442.db2.gz WJSNDBMTKICGRA-UHFFFAOYSA-N 1 0 357.439 3.381 50 5 FGBARO CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N+](C)(C)C3 ZINC000001243469 493791128 /nfs/dbraw/zinc/79/11/28/493791128.db2.gz ZWJVXSMNDWIKCQ-UHFFFAOYSA-N 1 0 358.512 3.302 50 5 FGBARO Cc1cc(NC(=O)C[NH2+]C[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1C ZINC000025389011 494730952 /nfs/dbraw/zinc/73/09/52/494730952.db2.gz YRDQIRLBYVWYBD-IBGZPJMESA-N 1 0 370.453 3.043 50 5 FGBARO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000095369378 494967040 /nfs/dbraw/zinc/96/70/40/494967040.db2.gz HOKSLWFWSCAEFI-AWEZNQCLSA-N 1 0 374.828 3.494 50 5 FGBARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1 ZINC000004555598 207028271 /nfs/dbraw/zinc/02/82/71/207028271.db2.gz HFUNUAJRXGKGDD-OAHLLOKOSA-N 1 0 358.423 3.463 50 5 FGBARO C[N+](C)(C)[C@@H]1CCC[C@@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000817535 493775253 /nfs/dbraw/zinc/77/52/53/493775253.db2.gz KLNTZMJPRVVAFN-UXHICEINSA-N 1 0 354.470 3.093 50 5 FGBARO CC[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc32)CC1 ZINC000000949108 493780514 /nfs/dbraw/zinc/78/05/14/493780514.db2.gz ZFUAZTFVNOJBCY-UHFFFAOYSA-N 1 0 363.421 3.347 50 5 FGBARO Cc1ccccc1[N+]1=C2SCCCN2C[C@]1(O)c1cccc([N+](=O)[O-])c1 ZINC000003227045 493833360 /nfs/dbraw/zinc/83/33/60/493833360.db2.gz VHLAFFZNLAHZBT-IBGZPJMESA-N 1 0 370.454 3.074 50 5 FGBARO CSc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000003343533 493840228 /nfs/dbraw/zinc/84/02/28/493840228.db2.gz BFLCIUJXJKSBTE-MRXNPFEDSA-N 1 0 359.451 3.349 50 5 FGBARO Cc1c(NC(=O)CC[N@@H+](C[C@@H](C)O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000058357685 493846336 /nfs/dbraw/zinc/84/63/36/493846336.db2.gz TWHZOBKNZGVAKM-CQSZACIVSA-N 1 0 363.458 3.247 50 5 FGBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004524506 493881351 /nfs/dbraw/zinc/88/13/51/493881351.db2.gz QYHGDUIFCYJAES-PKOBYXMFSA-N 1 0 351.406 3.351 50 5 FGBARO Cc1cc(NC(=O)C[NH2+]C[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1C ZINC000025389018 494731637 /nfs/dbraw/zinc/73/16/37/494731637.db2.gz YRDQIRLBYVWYBD-LJQANCHMSA-N 1 0 370.453 3.043 50 5 FGBARO C[N@+]12CCCC[C@@H]1[C@H](COC(=O)c1cc3ccccc3oc1=O)CCC2 ZINC000252462695 525358104 /nfs/dbraw/zinc/35/81/04/525358104.db2.gz VKUSZJSOAHGCMP-AQOAWAETSA-N 1 0 356.442 3.359 50 5 FGBARO CCOc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000040121344 208231110 /nfs/dbraw/zinc/23/11/10/208231110.db2.gz GTJSLUJJGPHFPV-GJZGRUSLSA-N 1 0 363.458 3.091 50 5 FGBARO C[NH+]1CCN(c2ccc(Nc3ncnc4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000012082694 494202395 /nfs/dbraw/zinc/20/23/95/494202395.db2.gz GZJNSLMEYSKTPA-UHFFFAOYSA-N 1 0 364.409 3.033 50 5 FGBARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000012772574 494257493 /nfs/dbraw/zinc/25/74/93/494257493.db2.gz BZAIVEQCDKUGAU-INIZCTEOSA-N 1 0 365.792 3.420 50 5 FGBARO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000017362818 494413382 /nfs/dbraw/zinc/41/33/82/494413382.db2.gz QTVDEMRAVGMYDU-UHFFFAOYSA-N 1 0 353.422 3.298 50 5 FGBARO COc1cc2c(c([N+](=O)[O-])c1)C(=O)N(CCC[NH+](C)C)c1ccccc1O2 ZINC000004745727 207045103 /nfs/dbraw/zinc/04/51/03/207045103.db2.gz YWDCLGJGLURBDD-UHFFFAOYSA-N 1 0 371.393 3.308 50 5 FGBARO C[N@@H+]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000032803845 208044788 /nfs/dbraw/zinc/04/47/88/208044788.db2.gz DBCJRUQIVDEYHY-UHFFFAOYSA-N 1 0 365.231 3.047 50 5 FGBARO Cc1ccccc1OCCNc1cc(N2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000004117115 132386458 /nfs/dbraw/zinc/38/64/58/132386458.db2.gz SREIBAVSORWQCZ-MRXNPFEDSA-N 1 0 370.453 3.192 50 5 FGBARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000819107 493775163 /nfs/dbraw/zinc/77/51/63/493775163.db2.gz GTAZLCVDNVIUKG-UHFFFAOYSA-N 1 0 370.340 3.475 50 5 FGBARO O=[N+]([O-])c1cccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccccc2)c1 ZINC000001189448 493789254 /nfs/dbraw/zinc/78/92/54/493789254.db2.gz SJDNLZSCVSEYLG-FQEVSTJZSA-N 1 0 352.414 3.245 50 5 FGBARO C[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC000006287884 493957165 /nfs/dbraw/zinc/95/71/65/493957165.db2.gz JCTHDPKQPNMRQY-UHFFFAOYSA-N 1 0 374.828 3.252 50 5 FGBARO CC[N@@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000012557688 494242302 /nfs/dbraw/zinc/24/23/02/494242302.db2.gz HYDMGRXIMDAYST-SNVBAGLBSA-N 1 0 362.308 3.418 50 5 FGBARO C[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-n2ccnc2)cc1 ZINC000023994848 494594848 /nfs/dbraw/zinc/59/48/48/494594848.db2.gz ISNFJJLNHHFZGK-ZDUSSCGKSA-N 1 0 366.377 3.360 50 5 FGBARO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000026715776 494835433 /nfs/dbraw/zinc/83/54/33/494835433.db2.gz DUTCOQCMGFTIBO-VQIMIIECSA-N 1 0 360.410 3.084 50 5 FGBARO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000007651012 207201157 /nfs/dbraw/zinc/20/11/57/207201157.db2.gz IPPGFNYUGLIEET-UHFFFAOYSA-N 1 0 359.470 3.442 50 5 FGBARO COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[N+]1(C)C ZINC000033829879 208100576 /nfs/dbraw/zinc/10/05/76/208100576.db2.gz FGUCOPALAZXICJ-HNNXBMFYSA-O 1 0 356.442 3.315 50 5 endogenous,in-man FGBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1Sc1nc2ccccc2[nH]1 ZINC000004312324 132386802 /nfs/dbraw/zinc/38/68/02/132386802.db2.gz QRERSVTUNDTFLK-UHFFFAOYSA-N 1 0 355.423 3.032 50 5 FGBARO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177511 493822837 /nfs/dbraw/zinc/82/28/37/493822837.db2.gz DFSJENLFJUKTKN-GOSISDBHSA-N 1 0 353.422 3.091 50 5 FGBARO Cc1cccc([N+]2=C3CCCCN3[C@](O)(c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000002966473 493827074 /nfs/dbraw/zinc/82/70/74/493827074.db2.gz BIDXGONECMXQIS-HXUWFJFHSA-N 1 0 352.414 3.163 50 5 FGBARO COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)c(N3CC[NH2+]CC3)nc2c1 ZINC000039930076 494124200 /nfs/dbraw/zinc/12/42/00/494124200.db2.gz AJDRJEMZIBCXFK-UHFFFAOYSA-N 1 0 364.405 3.228 50 5 FGBARO CC1CC[NH+](CC2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000048275835 209330946 /nfs/dbraw/zinc/33/09/46/209330946.db2.gz AAHLUNIWDIYUKX-UHFFFAOYSA-N 1 0 371.485 3.346 50 5 FGBARO CC[NH+](CC)CCCN1C(=O)[C@@H](C)S[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000005046372 207074775 /nfs/dbraw/zinc/07/47/75/207074775.db2.gz LDBRLTOWTSAQJF-CXAGYDPISA-N 1 0 351.472 3.289 50 5 FGBARO CCOc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000040121343 208231330 /nfs/dbraw/zinc/23/13/30/208231330.db2.gz GTJSLUJJGPHFPV-GASCZTMLSA-N 1 0 363.458 3.091 50 5 FGBARO COc1ccc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000058210364 493833939 /nfs/dbraw/zinc/83/39/39/493833939.db2.gz WSZDEEVSLJCIAV-IJEWVQPXSA-N 1 0 361.442 3.081 50 5 FGBARO CCCC[N+](C)(C)C[C@@H]1C(=O)O[C@]23[C@@H]4O[C@]4(C)CC[C@@H]2[C@H](C)CC[C@H]13 ZINC000009357835 494121828 /nfs/dbraw/zinc/12/18/28/494121828.db2.gz XRMRHJDUMVLMMB-MMKZJUERSA-N 1 0 350.523 3.388 50 5 FGBARO C[N@@+]12CCCC[C@H]1[C@@H](COC(=O)c1cc3ccccc3oc1=O)CCC2 ZINC000253488008 525359729 /nfs/dbraw/zinc/35/97/29/525359729.db2.gz VKUSZJSOAHGCMP-NRJQMVOHSA-N 1 0 356.442 3.359 50 5 FGBARO [NH2+]=C(NC1CCCCC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000004014370 206997736 /nfs/dbraw/zinc/99/77/36/206997736.db2.gz MFZRYMPLIQBOTI-UHFFFAOYSA-N 1 0 373.194 3.447 50 5 FGBARO Cc1ccccc1[N+]1=C2SCCCN2C[C@@]1(O)c1cccc([N+](=O)[O-])c1 ZINC000003227044 493833114 /nfs/dbraw/zinc/83/31/14/493833114.db2.gz VHLAFFZNLAHZBT-LJQANCHMSA-N 1 0 370.454 3.074 50 5 FGBARO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000026715780 494835300 /nfs/dbraw/zinc/83/53/00/494835300.db2.gz DUTCOQCMGFTIBO-APWZRJJASA-N 1 0 360.410 3.084 50 5 FGBARO COC(=O)[C@H]1C[C@@]23CCC[N@+]4(C)CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]34 ZINC000252461462 523988397 /nfs/dbraw/zinc/98/83/97/523988397.db2.gz MQASNJGBUISRNK-XSHYYGNTSA-N 1 0 353.486 3.075 50 5 FGBARO COc1ccc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000106149920 209272449 /nfs/dbraw/zinc/27/24/49/209272449.db2.gz WSZDEEVSLJCIAV-LZWOXQAQSA-N 1 0 361.442 3.081 50 5 FGBARO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095995141 209093202 /nfs/dbraw/zinc/09/32/02/209093202.db2.gz IOZZOXUFQQJALR-QAPCUYQASA-N 1 0 353.422 3.235 50 5 FGBARO C[NH+](C)[C@H]1CCC[C@@H]1C(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002145387 493802590 /nfs/dbraw/zinc/80/25/90/493802590.db2.gz WUORPWZHUUPLIO-KBPBESRZSA-N 1 0 365.386 3.169 50 5 FGBARO Cc1cc(OCCCN2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000002881608 493824614 /nfs/dbraw/zinc/82/46/14/493824614.db2.gz ZOZZSEQNQKZZGQ-UHFFFAOYSA-N 1 0 369.465 3.490 50 5 FGBARO CC[NH+](CC)CC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000058295884 493843237 /nfs/dbraw/zinc/84/32/37/493843237.db2.gz BQOFZYIPJROIJJ-UHFFFAOYSA-N 1 0 358.442 3.270 50 5 FGBARO COc1c2c(cc3c1[C@@H](C[C@H](O)c1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000001321671 209388189 /nfs/dbraw/zinc/38/81/89/209388189.db2.gz HKKUIVVPJZPTPV-SJORKVTESA-N 1 0 356.442 3.221 50 5 FGBARO CC1CC[NH+](CC2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)CC1 ZINC000048273873 209330733 /nfs/dbraw/zinc/33/07/33/209330733.db2.gz XBHNADQYUYLOQB-UHFFFAOYSA-N 1 0 371.485 3.346 50 5 FGBARO COc1cc(CN2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000001225356 206870063 /nfs/dbraw/zinc/87/00/63/206870063.db2.gz LPDPPNSDKPRERN-UHFFFAOYSA-N 1 0 363.458 3.062 50 5 FGBARO Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000009991482 207292272 /nfs/dbraw/zinc/29/22/72/207292272.db2.gz IIYFNGBGZVMQER-UHFFFAOYSA-N 1 0 353.422 3.429 50 5 FGBARO C[C@@H](CCc1ccccc1)Nc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000004687361 132823908 /nfs/dbraw/zinc/82/39/08/132823908.db2.gz KZLJTSGHAWLPDM-INIZCTEOSA-N 1 0 354.454 3.438 50 5 FGBARO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000053049355 494087015 /nfs/dbraw/zinc/08/70/15/494087015.db2.gz VNGJGHTWZGAKBJ-UHFFFAOYSA-N 1 0 371.412 3.262 50 5 FGBARO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017075745 494407777 /nfs/dbraw/zinc/40/77/77/494407777.db2.gz WUZJEQLAVYXNOO-UHFFFAOYSA-N 1 0 369.465 3.321 50 5 FGBARO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000023409295 494565671 /nfs/dbraw/zinc/56/56/71/494565671.db2.gz RXHJXHYWDLEDAX-HZPDHXFCSA-N 1 0 371.220 3.086 50 5 FGBARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000025329887 494724089 /nfs/dbraw/zinc/72/40/89/494724089.db2.gz XTYDOEWQTSLDNF-AWEZNQCLSA-N 1 0 353.831 3.342 50 5 FGBARO Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000018019294 211189530 /nfs/dbraw/zinc/18/95/30/211189530.db2.gz PGLBEPUFAMILJH-IBGZPJMESA-N 1 0 353.422 3.470 50 5 FGBARO Cc1cccc(C[NH+]2CCC(NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000058201139 221106429 /nfs/dbraw/zinc/10/64/29/221106429.db2.gz UJIIAKLGTJLURD-UHFFFAOYSA-N 1 0 367.449 3.227 50 5 FGBARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2[N+](=O)[O-])N3)C1 ZINC000004555597 493882798 /nfs/dbraw/zinc/88/27/98/493882798.db2.gz HFUNUAJRXGKGDD-HNNXBMFYSA-N 1 0 358.423 3.463 50 5 FGBARO CCc1ccc([C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000012765416 494256811 /nfs/dbraw/zinc/25/68/11/494256811.db2.gz DXBLEPIIJCTUMO-GOSISDBHSA-N 1 0 355.438 3.498 50 5 FGBARO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000048368493 570952935 /nfs/dbraw/zinc/95/29/35/570952935.db2.gz FFQDVTGTIORWQV-UHFFFAOYSA-N 1 0 374.485 3.365 50 5 FGBARO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000052715260 221038672 /nfs/dbraw/zinc/03/86/72/221038672.db2.gz DCKVMESPPLJNGH-IBGZPJMESA-N 1 0 369.421 3.249 50 5 FGBARO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccccc3)c2)C[C@@H](C)[NH2+]1 ZINC000004117113 132386455 /nfs/dbraw/zinc/38/64/55/132386455.db2.gz VNGZFJXEGLRVGO-HZPDHXFCSA-N 1 0 370.453 3.272 50 5 FGBARO O=[N+]([O-])c1ccc(C2=[N+]3CCCCCN3[C@](O)(c3ccccc3)C2)cc1 ZINC000005738089 493941705 /nfs/dbraw/zinc/94/17/05/493941705.db2.gz COWBRUNJVSTFDB-HXUWFJFHSA-N 1 0 352.414 3.046 50 5 FGBARO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000012853472 494265983 /nfs/dbraw/zinc/26/59/83/494265983.db2.gz URZDIEITXLXIPT-WBMJQRKESA-N 1 0 355.394 3.208 50 5 FGBARO COc1ccc(NC(=O)NC[C@@H](CC(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000024830218 211414467 /nfs/dbraw/zinc/41/44/67/211414467.db2.gz CAVDIPHMCOMVJZ-CQSZACIVSA-N 1 0 364.446 3.235 50 5 FGBARO C[NH+](C)[C@H]1CCC[C@H]1C(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002145390 210381546 /nfs/dbraw/zinc/38/15/46/210381546.db2.gz WUORPWZHUUPLIO-KGLIPLIRSA-N 1 0 365.386 3.169 50 5 FGBARO Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000069778987 221328129 /nfs/dbraw/zinc/32/81/29/221328129.db2.gz MJUVCGKRHOQWIJ-AWEZNQCLSA-N 1 0 353.426 3.256 50 5 FGBARO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000097165438 222166318 /nfs/dbraw/zinc/16/63/18/222166318.db2.gz KKSLMRBQJFQEHV-FQEVSTJZSA-N 1 0 353.422 3.379 50 5 FGBARO C[C@H]1CCC[C@](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000058182087 493830851 /nfs/dbraw/zinc/83/08/51/493830851.db2.gz XMLSTEQEGOPQSD-XOBRGWDASA-N 1 0 374.485 3.409 50 5 FGBARO Cc1cccc(N2CC[NH+](CC[C@H](C)Nc3ncccc3[N+](=O)[O-])CC2)c1 ZINC000029621037 493847687 /nfs/dbraw/zinc/84/76/87/493847687.db2.gz AIOUZGNRYVAWCT-KRWDZBQOSA-N 1 0 369.469 3.311 50 5 FGBARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004555599 493882637 /nfs/dbraw/zinc/88/26/37/493882637.db2.gz PZMOPVDNTADDLN-HNNXBMFYSA-N 1 0 358.423 3.463 50 5 FGBARO COC(=O)[C@H](C)C[N@H+](Cc1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000096003607 494995701 /nfs/dbraw/zinc/99/57/01/494995701.db2.gz PCGQAVHGWWBIRW-SNVBAGLBSA-N 1 0 371.231 3.131 50 5 FGBARO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000023105604 220410509 /nfs/dbraw/zinc/41/05/09/220410509.db2.gz OHLNIUAGXCFVTD-CYBMUJFWSA-N 1 0 353.831 3.342 50 5 FGBARO Cc1ccccc1OCCNc1cc(N2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000004117117 132386439 /nfs/dbraw/zinc/38/64/39/132386439.db2.gz SREIBAVSORWQCZ-INIZCTEOSA-N 1 0 370.453 3.192 50 5 FGBARO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000029931104 493868161 /nfs/dbraw/zinc/86/81/61/493868161.db2.gz STLOPNRRTWHGDK-DOJUMQAQSA-N 1 0 357.385 3.166 50 5 FGBARO Cc1cc(OCCN2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000004831972 493894352 /nfs/dbraw/zinc/89/43/52/493894352.db2.gz OUCNFJWKJBWAKH-UHFFFAOYSA-N 1 0 355.438 3.100 50 5 FGBARO COc1cccc([C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000040043226 494128157 /nfs/dbraw/zinc/12/81/57/494128157.db2.gz ASPKQILFGHJOQT-CVTTXWKISA-N 1 0 369.421 3.036 50 5 FGBARO C[NH+](C)[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000012643676 494249436 /nfs/dbraw/zinc/24/94/36/494249436.db2.gz WBRKJPBRUIWFTO-LJQANCHMSA-N 1 0 368.437 3.202 50 5 FGBARO COc1c2c(cc3c1[C@H](C[C@H](O)Cc1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000001321436 219394690 /nfs/dbraw/zinc/39/46/90/219394690.db2.gz JAOCUZTUZCDYHK-MSOLQXFVSA-N 1 0 370.469 3.091 50 5 FGBARO COc1c2c(cc3c1[C@@H](CC(=O)Cc1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000001323084 219395452 /nfs/dbraw/zinc/39/54/52/219395452.db2.gz MKJHGGFFHXCVFC-GOSISDBHSA-N 1 0 368.453 3.299 50 5 FGBARO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000023409298 211390068 /nfs/dbraw/zinc/39/00/68/211390068.db2.gz RXHJXHYWDLEDAX-JKSUJKDBSA-N 1 0 371.220 3.086 50 5 FGBARO [NH3+]CCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000095580747 221963640 /nfs/dbraw/zinc/96/36/40/221963640.db2.gz DIMJVBOEXNWPOG-UHFFFAOYSA-N 1 0 370.192 3.491 50 5 FGBARO Cc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000029837744 493860611 /nfs/dbraw/zinc/86/06/11/493860611.db2.gz DCBXYDDXGAHORF-UHFFFAOYSA-N 1 0 353.422 3.081 50 5 FGBARO Cc1cc(NC(=O)C[NH+]2CCCCCC2)nc2c3ccccc3oc(=O)c12 ZINC000006472064 493965275 /nfs/dbraw/zinc/96/52/75/493965275.db2.gz FQRFQFSQWPZOJM-UHFFFAOYSA-N 1 0 365.433 3.464 50 5 FGBARO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1C[NH+](C)C ZINC000006992980 493993225 /nfs/dbraw/zinc/99/32/25/493993225.db2.gz QAKTXTPARWDZBN-CQSZACIVSA-N 1 0 373.478 3.453 50 5 FGBARO O=C(NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000052359383 494021138 /nfs/dbraw/zinc/02/11/38/494021138.db2.gz DXNWITJLZXXVKZ-UHFFFAOYSA-N 1 0 353.422 3.032 50 5 FGBARO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000012853467 494265737 /nfs/dbraw/zinc/26/57/37/494265737.db2.gz URZDIEITXLXIPT-BLLLJJGKSA-N 1 0 355.394 3.208 50 5 FGBARO COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000024771969 494664290 /nfs/dbraw/zinc/66/42/90/494664290.db2.gz IFXXCQLXCXKZJD-SFHVURJKSA-N 1 0 373.409 3.105 50 5 FGBARO COc1c2c(cc3c1[C@H](CC(=O)Cc1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000001323085 219395039 /nfs/dbraw/zinc/39/50/39/219395039.db2.gz MKJHGGFFHXCVFC-SFHVURJKSA-N 1 0 368.453 3.299 50 5 FGBARO CCc1ccc([N+]2=C3CCCCN3[C@](O)(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000002966307 210441730 /nfs/dbraw/zinc/44/17/30/210441730.db2.gz JYLNVDCDHFIHIO-OAQYLSRUSA-N 1 0 366.441 3.417 50 5 FGBARO C[C@H]1CCC[C@@](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000058182083 493831605 /nfs/dbraw/zinc/83/16/05/493831605.db2.gz XMLSTEQEGOPQSD-VBKZILBWSA-N 1 0 374.485 3.409 50 5 FGBARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000006205609 493955436 /nfs/dbraw/zinc/95/54/36/493955436.db2.gz DWTZEZQDUGIOQU-OAHLLOKOSA-N 1 0 358.423 3.463 50 5 FGBARO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000012776491 494257774 /nfs/dbraw/zinc/25/77/74/494257774.db2.gz QFUKBHFPDYXATQ-GOSISDBHSA-N 1 0 369.421 3.430 50 5 FGBARO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH+]2CCCCC2)nc1 ZINC000096012124 494996523 /nfs/dbraw/zinc/99/65/23/494996523.db2.gz NTEOMYBMXUESEI-UHFFFAOYSA-N 1 0 354.410 3.157 50 5 FGBARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035426852 210187471 /nfs/dbraw/zinc/18/74/71/210187471.db2.gz QYHGDUIFCYJAES-IEBWSBKVSA-N 1 0 351.406 3.351 50 5 FGBARO COc1c2c(cc3c1[C@H](C[C@@H](O)c1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000001321674 219395119 /nfs/dbraw/zinc/39/51/19/219395119.db2.gz HKKUIVVPJZPTPV-DLBZAZTESA-N 1 0 356.442 3.221 50 5 FGBARO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000053076304 494089647 /nfs/dbraw/zinc/08/96/47/494089647.db2.gz OAWKASZBGYROLI-KRWDZBQOSA-N 1 0 357.385 3.040 50 5 FGBARO Cc1cc(N[C@@H](c2nncn2C)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000253418343 497332864 /nfs/dbraw/zinc/33/28/64/497332864.db2.gz OMRFWCYMNDDFLO-MRXNPFEDSA-N 1 0 367.413 3.298 50 5 FGBARO CCC(CC)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000013322658 220063249 /nfs/dbraw/zinc/06/32/49/220063249.db2.gz FQOJDEIAPBEZCI-UHFFFAOYSA-N 1 0 364.446 3.189 50 5 FGBARO C[NH+](C)[C@@H]1CCC[C@H]1C(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002145385 210381702 /nfs/dbraw/zinc/38/17/02/210381702.db2.gz WUORPWZHUUPLIO-ZIAGYGMSSA-N 1 0 365.386 3.169 50 5 FGBARO CN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000048332463 221008722 /nfs/dbraw/zinc/00/87/22/221008722.db2.gz LVCBCZFITDKGJX-LJQANCHMSA-N 1 0 353.422 3.218 50 5 FGBARO COc1c2c(cc3c1[C@H](C[C@@H](O)c1ccc(F)cc1)[N+](C)(C)CC3)OCO2 ZINC000001280352 493791752 /nfs/dbraw/zinc/79/17/52/493791752.db2.gz LFTCLXCGXVOXPN-DLBZAZTESA-N 1 0 374.432 3.360 50 5 FGBARO O=[N+]([O-])c1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccccc2)cc1 ZINC000001800409 493799268 /nfs/dbraw/zinc/79/92/68/493799268.db2.gz PCTVAHVAXIHEKP-HXUWFJFHSA-N 1 0 352.414 3.245 50 5 FGBARO Cc1ccccc1C(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000048365420 493821271 /nfs/dbraw/zinc/82/12/71/493821271.db2.gz BNBJMHGTEKPEOE-UHFFFAOYSA-N 1 0 367.449 3.340 50 5 FGBARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004555600 493882768 /nfs/dbraw/zinc/88/27/68/493882768.db2.gz PZMOPVDNTADDLN-OAHLLOKOSA-N 1 0 358.423 3.463 50 5 FGBARO Cc1cccc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000032369245 493983763 /nfs/dbraw/zinc/98/37/63/493983763.db2.gz CIPSHOSCVYWVID-UHFFFAOYSA-N 1 0 367.449 3.470 50 5 FGBARO CN1CCC(CNc2ccc([N+](=O)[O-])cc2F)([NH+]2CCCCC2)CC1 ZINC000078457551 494299454 /nfs/dbraw/zinc/29/94/54/494299454.db2.gz YWPPPWZTUCGSLU-UHFFFAOYSA-N 1 0 350.438 3.096 50 5 FGBARO CC[N@@+]12CC[C@]34c5ccccc5N[C@]35[C@@H](C)[C@](C[C@@H]5C(=O)OC)(CCC1)[C@H]42 ZINC000245253736 523632663 /nfs/dbraw/zinc/63/26/63/523632663.db2.gz LZUBEVCHNPBHRZ-SIFOMWHUSA-N 1 0 367.513 3.321 50 5 FGBARO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000009992155 219888673 /nfs/dbraw/zinc/88/86/73/219888673.db2.gz SSPIYNDZSNLUQH-UHFFFAOYSA-N 1 0 353.422 3.429 50 5 FGBARO Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000069778989 221328041 /nfs/dbraw/zinc/32/80/41/221328041.db2.gz MJUVCGKRHOQWIJ-CQSZACIVSA-N 1 0 353.426 3.256 50 5 FGBARO C[NH+](C)[C@@H]1CCC[C@@H]1C(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002145382 493802350 /nfs/dbraw/zinc/80/23/50/493802350.db2.gz WUORPWZHUUPLIO-UONOGXRCSA-N 1 0 365.386 3.169 50 5 FGBARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000009991600 494139600 /nfs/dbraw/zinc/13/96/00/494139600.db2.gz UFRJKGSYLKVQKK-UHFFFAOYSA-N 1 0 353.422 3.429 50 5 FGBARO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000095369379 494966641 /nfs/dbraw/zinc/96/66/41/494966641.db2.gz HOKSLWFWSCAEFI-CQSZACIVSA-N 1 0 374.828 3.494 50 5 FGBARO Nc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[N+](=O)[O-] ZINC000095462200 494976487 /nfs/dbraw/zinc/97/64/87/494976487.db2.gz BLXVXIOLYCATMQ-LJQANCHMSA-N 1 0 355.394 3.189 50 5 FGBARO COc1c2c(cc3c1[C@H](CC(=O)c1ccccc1O)[N+](C)(C)CC3)OCO2 ZINC000001280398 493791853 /nfs/dbraw/zinc/79/18/53/493791853.db2.gz RYBYDQWAURPYRN-HNNXBMFYSA-O 1 0 370.425 3.076 50 5 FGBARO C[N@+]12CCCC[C@H]1[C@@H](COC(=O)[C@H]1CC(=O)OC13CCCCC3)CCC2 ZINC000252441124 525357532 /nfs/dbraw/zinc/35/75/32/525357532.db2.gz HDFKGZFKCUTAIJ-QSNWEANLSA-N 1 0 364.506 3.205 50 5 FGBARO CC(C)(C)[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000003032052 219482928 /nfs/dbraw/zinc/48/29/28/219482928.db2.gz VHSYXGGBYPYXDB-UHFFFAOYSA-N 1 0 356.486 3.341 50 5 FGBARO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000058210172 221107536 /nfs/dbraw/zinc/10/75/36/221107536.db2.gz GIZFAQOFQVSJQW-UHFFFAOYSA-N 1 0 371.412 3.057 50 5 FGBARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000002735200 493817157 /nfs/dbraw/zinc/81/71/57/493817157.db2.gz ULMSFEKPZQIGBE-IBGZPJMESA-N 1 0 367.449 3.465 50 5 FGBARO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000004750363 493891190 /nfs/dbraw/zinc/89/11/90/493891190.db2.gz YKUADWFDAYDXJK-UHFFFAOYSA-N 1 0 362.430 3.086 50 5 FGBARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000006287893 493957336 /nfs/dbraw/zinc/95/73/36/493957336.db2.gz FHMRPHOEJMOSIO-UHFFFAOYSA-N 1 0 374.828 3.252 50 5 FGBARO CC[NH+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000032803816 494017986 /nfs/dbraw/zinc/01/79/86/494017986.db2.gz PFPPITUOSLRYDU-UHFFFAOYSA-N 1 0 365.231 3.047 50 5 FGBARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000040118836 494133598 /nfs/dbraw/zinc/13/35/98/494133598.db2.gz ZCUOMGIPGMAYAV-GASCZTMLSA-N 1 0 374.485 3.267 50 5 FGBARO CC(C)[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000012561415 494242524 /nfs/dbraw/zinc/24/25/24/494242524.db2.gz IYYGHYKYAYYIFR-INIZCTEOSA-N 1 0 374.407 3.298 50 5 FGBARO O=C(CN1CCC[C@H]1c1cccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000253419923 497333114 /nfs/dbraw/zinc/33/31/14/497333114.db2.gz MAKHCAYXXAFDAR-HNNXBMFYSA-N 1 0 360.801 3.419 50 5 FGBARO C[N@@+]12CCCC[C@H]1[C@@H](COC(=O)[C@H]1CC(=O)OC13CCCCC3)CCC2 ZINC000252441123 525360365 /nfs/dbraw/zinc/36/03/65/525360365.db2.gz HDFKGZFKCUTAIJ-QLDGJZPUSA-N 1 0 364.506 3.205 50 5 FGBARO Cc1noc(COc2ccccc2OCC[N+]2(C)CCOCC2)c1Cl ZINC000000622053 493765741 /nfs/dbraw/zinc/76/57/41/493765741.db2.gz INKZYDIFAYVILS-UHFFFAOYSA-N 1 0 367.853 3.071 50 5 FGBARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000002735201 493817317 /nfs/dbraw/zinc/81/73/17/493817317.db2.gz ULMSFEKPZQIGBE-LJQANCHMSA-N 1 0 367.449 3.465 50 5 FGBARO Cc1ccc([N+](=O)[O-])c(OCCOCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000002844384 493821877 /nfs/dbraw/zinc/82/18/77/493821877.db2.gz NCAFXHQRYAJYNE-UHFFFAOYSA-N 1 0 356.422 3.357 50 5 FGBARO C[NH+](C)C[C@@H]1CCCC[C@@H]1OC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003181665 493832276 /nfs/dbraw/zinc/83/22/76/493832276.db2.gz NKTVEIOKRCFGBI-BBRMVZONSA-N 1 0 354.834 3.454 50 5 FGBARO COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000004026912 493861002 /nfs/dbraw/zinc/86/10/02/493861002.db2.gz XFFHLKFEYXGVGD-SCLBCKFNSA-N 1 0 372.421 3.265 50 5 FGBARO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000032814544 494018577 /nfs/dbraw/zinc/01/85/77/494018577.db2.gz PUHVVRQJEWCTBS-UHFFFAOYSA-N 1 0 369.425 3.381 50 5 FGBARO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000034889308 494069667 /nfs/dbraw/zinc/06/96/67/494069667.db2.gz LFRRDVIHILNILU-WMLDXEAASA-N 1 0 362.451 3.405 50 5 FGBARO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000010329718 494150100 /nfs/dbraw/zinc/15/01/00/494150100.db2.gz FPNHPIPZOBULFA-MRXNPFEDSA-N 1 0 365.792 3.420 50 5 FGBARO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000010329714 494150254 /nfs/dbraw/zinc/15/02/54/494150254.db2.gz FPNHPIPZOBULFA-INIZCTEOSA-N 1 0 365.792 3.420 50 5 FGBARO C[C@H]([NH2+]Cc1ccc(N)c([N+](=O)[O-])c1)c1ccc(N2CCCC2=O)cc1 ZINC000095462203 494976754 /nfs/dbraw/zinc/97/67/54/494976754.db2.gz RQLWJMYZALJNIV-ZDUSSCGKSA-N 1 0 354.410 3.155 50 5 FGBARO COc1ccc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000248146193 496963149 /nfs/dbraw/zinc/96/31/49/496963149.db2.gz WSZDEEVSLJCIAV-FMKPAKJESA-N 1 0 361.442 3.081 50 5 FGBARO C[N+](C)(C)[C@H]1CCC[C@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000817532 219325655 /nfs/dbraw/zinc/32/56/55/219325655.db2.gz KLNTZMJPRVVAFN-VQTJNVASSA-N 1 0 354.470 3.093 50 5 FGBARO COc1c2c(cc3c1[C@H](C[C@@H](O)Cc1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000001321438 219394777 /nfs/dbraw/zinc/39/47/77/219394777.db2.gz JAOCUZTUZCDYHK-ROUUACIJSA-N 1 0 370.469 3.091 50 5 FGBARO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000058245775 221111255 /nfs/dbraw/zinc/11/12/55/221111255.db2.gz LUKRCOSRGIBZJN-KBPBESRZSA-N 1 0 351.422 3.251 50 5 FGBARO COc1ccc2[nH]cc(C3=CC[N@H+](CCn4cc([N+](=O)[O-])cn4)CC3)c2c1 ZINC000089467047 525487510 /nfs/dbraw/zinc/48/75/10/525487510.db2.gz RPJFARJUOBFXGH-UHFFFAOYSA-N 1 0 367.409 3.071 50 5 FGBARO CCn1c(SCC[NH+]2CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000000917484 219339620 /nfs/dbraw/zinc/33/96/20/219339620.db2.gz PMQVXCXAOHSCJP-UHFFFAOYSA-N 1 0 361.471 3.451 50 5 FGBARO C[C@@H]1CCC[C@@](CNC(=O)CCNc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000058305747 221113931 /nfs/dbraw/zinc/11/39/31/221113931.db2.gz HUGLCSUPPXVPJY-DNVCBOLYSA-N 1 0 362.474 3.024 50 5 FGBARO CCc1cc(N2CC[N@H+](C)C[C@@H]2C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000076018390 493810415 /nfs/dbraw/zinc/81/04/15/493810415.db2.gz YXIOJLILVYGCBX-GOSISDBHSA-N 1 0 369.469 3.391 50 5 FGBARO [NH2+]=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000003156693 493832620 /nfs/dbraw/zinc/83/26/20/493832620.db2.gz LXMLMZOUQNJBHY-UHFFFAOYSA-N 1 0 373.194 3.401 50 5 FGBARO CC[NH+](CC)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CC(C)C ZINC000029840009 493861803 /nfs/dbraw/zinc/86/18/03/493861803.db2.gz LADRSJFZCPHZJZ-CQSZACIVSA-N 1 0 371.503 3.167 50 5 FGBARO C[C@H]1C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2)C[C@H](C)O1 ZINC000030001618 493872699 /nfs/dbraw/zinc/87/26/99/493872699.db2.gz XXKIGIDULQUANZ-GJZGRUSLSA-N 1 0 356.426 3.211 50 5 FGBARO Cc1c(C)c2sc3ccccc3c(=O)c2cc1OC[C@@H](O)C[N+](C)(C)C ZINC000004975574 493904783 /nfs/dbraw/zinc/90/47/83/493904783.db2.gz DSPSZIUOQRESHJ-HNNXBMFYSA-N 1 0 372.510 3.477 50 5 FGBARO Cc1c(C)c2sc3ccccc3c(=O)c2cc1OC[C@H](O)C[N+](C)(C)C ZINC000004975571 493904840 /nfs/dbraw/zinc/90/48/40/493904840.db2.gz DSPSZIUOQRESHJ-OAHLLOKOSA-N 1 0 372.510 3.477 50 5 FGBARO CC[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000032445818 493989845 /nfs/dbraw/zinc/98/98/45/493989845.db2.gz BPHRVRJRKZIMQA-GOSISDBHSA-N 1 0 353.422 3.162 50 5 FGBARO COc1cccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000010448508 494154227 /nfs/dbraw/zinc/15/42/27/494154227.db2.gz INKLOLBSSHTQMB-LJQANCHMSA-N 1 0 369.421 3.170 50 5 FGBARO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000023409289 494565212 /nfs/dbraw/zinc/56/52/12/494565212.db2.gz RXHJXHYWDLEDAX-CVEARBPZSA-N 1 0 371.220 3.086 50 5 FGBARO Cc1cccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000025629812 494763510 /nfs/dbraw/zinc/76/35/10/494763510.db2.gz ZCYZOMRFWHAORR-HNNXBMFYSA-N 1 0 353.422 3.080 50 5 FGBARO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095995140 494994364 /nfs/dbraw/zinc/99/43/64/494994364.db2.gz IOZZOXUFQQJALR-YJBOKZPZSA-N 1 0 353.422 3.235 50 5 FGBARO C[N+](C)(C)[C@@H]1CCC[C@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000817533 219325312 /nfs/dbraw/zinc/32/53/12/219325312.db2.gz KLNTZMJPRVVAFN-WOJBJXKFSA-N 1 0 354.470 3.093 50 5 FGBARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000012767243 220027452 /nfs/dbraw/zinc/02/74/52/220027452.db2.gz UFEIAQVGCJNOKA-KRWDZBQOSA-N 1 0 355.394 3.039 50 5 FGBARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000012767247 220027464 /nfs/dbraw/zinc/02/74/64/220027464.db2.gz UFEIAQVGCJNOKA-QGZVFWFLSA-N 1 0 355.394 3.039 50 5 FGBARO O=[N+]([O-])c1cccc(OCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000004833262 493895405 /nfs/dbraw/zinc/89/54/05/493895405.db2.gz PJKQCFDPJOTHCI-UHFFFAOYSA-N 1 0 355.438 3.182 50 5 FGBARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)CC1 ZINC000004998491 493906907 /nfs/dbraw/zinc/90/69/07/493906907.db2.gz NGABVIDXOLDRLR-UHFFFAOYSA-N 1 0 368.437 3.297 50 5 FGBARO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032398969 493984342 /nfs/dbraw/zinc/98/43/42/493984342.db2.gz PUAUYIZNEJZEGB-MDZDMXLPSA-N 1 0 365.433 3.173 50 5 FGBARO COc1cccc([C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000040043228 494127909 /nfs/dbraw/zinc/12/79/09/494127909.db2.gz ASPKQILFGHJOQT-TZZQJPOUSA-N 1 0 369.421 3.036 50 5 FGBARO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000012349063 494226682 /nfs/dbraw/zinc/22/66/82/494226682.db2.gz VRHKEGRDZJEWMX-AWEZNQCLSA-N 1 0 353.831 3.342 50 5 FGBARO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000095992805 494994336 /nfs/dbraw/zinc/99/43/36/494994336.db2.gz VYIKLRJKQSPJPR-AWEZNQCLSA-N 1 0 363.483 3.162 50 5 FGBARO CCc1ccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000012765419 220026825 /nfs/dbraw/zinc/02/68/25/220026825.db2.gz DXBLEPIIJCTUMO-SFHVURJKSA-N 1 0 355.438 3.498 50 5 FGBARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 ZINC000022405507 220385145 /nfs/dbraw/zinc/38/51/45/220385145.db2.gz OOPPDZWZMGWQQA-CYBMUJFWSA-N 1 0 353.831 3.342 50 5 FGBARO CN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000048332462 221008953 /nfs/dbraw/zinc/00/89/53/221008953.db2.gz LVCBCZFITDKGJX-IBGZPJMESA-N 1 0 353.422 3.218 50 5 FGBARO CC(C)(CNC(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000025460688 263388855 /nfs/dbraw/zinc/38/88/55/263388855.db2.gz DZEVRFXQSWPOJA-UHFFFAOYSA-N 1 0 353.422 3.162 50 5 FGBARO CCc1ccc([N+]2=C3CCCCN3[C@@](O)(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000002966306 493827427 /nfs/dbraw/zinc/82/74/27/493827427.db2.gz JYLNVDCDHFIHIO-NRFANRHFSA-N 1 0 366.441 3.417 50 5 FGBARO Cc1ccccc1OCCNc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000004180759 493868172 /nfs/dbraw/zinc/86/81/72/493868172.db2.gz SVNBKPWXQHGFMZ-UHFFFAOYSA-N 1 0 370.453 3.146 50 5 FGBARO CNc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000008184165 494075198 /nfs/dbraw/zinc/07/51/98/494075198.db2.gz MMNWBAYCGXSPQS-UHFFFAOYSA-N 1 0 368.437 3.162 50 5 FGBARO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000095992806 494994075 /nfs/dbraw/zinc/99/40/75/494994075.db2.gz VYIKLRJKQSPJPR-CQSZACIVSA-N 1 0 363.483 3.162 50 5 FGBARO