smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)C[C@H](C(=O)[O-])n2cnc([N+](=O)[O-])n2)cc1 ZINC000000818199 180835394 /nfs/dbraw/zinc/83/53/94/180835394.db2.gz OEANJVRCXHQERV-SNVBAGLBSA-N -1 0 304.262 1.393 50 5 DDBARM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1Cl ZINC000004517807 406727228 /nfs/dbraw/zinc/72/72/28/406727228.db2.gz LIJWFPDPQCHRKR-LURJTMIESA-N -1 0 322.726 1.308 50 5 DDBARM O=C([O-])c1cc(NC(=O)CSc2nc[nH]n2)cc([N+](=O)[O-])c1 ZINC000018191133 406884615 /nfs/dbraw/zinc/88/46/15/406884615.db2.gz DLYQWLVDSODLQV-UHFFFAOYSA-N -1 0 323.290 1.142 50 5 DDBARM O=C(Cn1cc([N+](=O)[O-])ccc1=O)[N-]OCc1ccccc1 ZINC000065593703 184370584 /nfs/dbraw/zinc/37/05/84/184370584.db2.gz MDWMEZLZWLBHEZ-UHFFFAOYSA-N -1 0 303.274 1.005 50 5 DDBARM COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc([N+](=O)[O-])c1OC ZINC000000070068 406618338 /nfs/dbraw/zinc/61/83/38/406618338.db2.gz PKVVJOTVEOPTFQ-HQJQHLMTSA-N -1 0 314.319 1.400 50 5 DDBARM CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000072280758 406878580 /nfs/dbraw/zinc/87/85/80/406878580.db2.gz XTQKERACHVTYJV-UHFFFAOYSA-N -1 0 319.314 1.050 50 5 DDBARM Cc1nn2c(SCC(=O)[O-])nc3ccccc3c2nc1=O ZINC000032934919 302807171 /nfs/dbraw/zinc/80/71/71/302807171.db2.gz SGLPRYZKAOKAIE-UHFFFAOYSA-N -1 0 302.315 1.123 50 5 DDBARM O=C([O-])CSC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000023550202 182362889 /nfs/dbraw/zinc/36/28/89/182362889.db2.gz MCUVQLSCIUKUSW-UHFFFAOYSA-N -1 0 300.317 1.427 50 5 DDBARM Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002730809 406697126 /nfs/dbraw/zinc/69/71/26/406697126.db2.gz JGKWVYOQVXBESL-SECBINFHSA-N -1 0 318.289 1.998 50 5 DDBARM Cc1noc(C)c1CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179486462 199043898 /nfs/dbraw/zinc/04/38/98/199043898.db2.gz FQCABCMIOPAAAQ-UHFFFAOYSA-N -1 0 305.290 1.878 50 5 DDBARM COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC000033936251 406964847 /nfs/dbraw/zinc/96/48/47/406964847.db2.gz PKSLOHMKDSSQHQ-HYXAFXHYSA-N -1 0 319.273 1.571 50 5 DDBARM CCc1nn(C)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097163951 407283935 /nfs/dbraw/zinc/28/39/35/407283935.db2.gz AOLQGXFIDPMGSK-UHFFFAOYSA-N -1 0 304.306 1.526 50 5 DDBARM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(n2cccn2)CC1 ZINC000097163710 407283973 /nfs/dbraw/zinc/28/39/73/407283973.db2.gz LUKLOBWZSHDCRO-UHFFFAOYSA-N -1 0 316.317 1.974 50 5 DDBARM CC1(C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]2CCO[C@@H]21 ZINC000153592299 407858742 /nfs/dbraw/zinc/85/87/42/407858742.db2.gz QDUMGXPHOAWVIU-WQAKAFBOSA-N -1 0 306.318 1.844 50 5 DDBARM C[C@H](c1cnn(C)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000119012383 354001620 /nfs/dbraw/zinc/00/16/20/354001620.db2.gz KGHSBKRNHUAHFS-SECBINFHSA-N -1 0 304.306 1.867 50 5 DDBARM COc1ccc(OC)c(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000004414103 181108368 /nfs/dbraw/zinc/10/83/68/181108368.db2.gz GIMLNYJYUGGRPH-HWKANZROSA-N -1 0 319.273 1.571 50 5 DDBARM O=C([O-])CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000000966735 406663307 /nfs/dbraw/zinc/66/33/07/406663307.db2.gz DEZJLIXJXQEJDP-WEVVVXLNSA-N -1 0 308.271 1.716 50 5 DDBARM O=C([O-])CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000003111329 406710685 /nfs/dbraw/zinc/71/06/85/406710685.db2.gz NXXKBRGGMSPDNK-UHFFFAOYSA-N -1 0 306.274 1.836 50 5 DDBARM Cc1nn(C)c(C)c1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000170083923 418517733 /nfs/dbraw/zinc/51/77/33/418517733.db2.gz GJKUSRJZCHAVDG-UHFFFAOYSA-N -1 0 304.306 1.581 50 5 DDBARM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000071766948 191028720 /nfs/dbraw/zinc/02/87/20/191028720.db2.gz PMPUEYMWVBNOML-UHFFFAOYSA-N -1 0 321.314 1.495 50 5 DDBARM Nc1nc(NCC(=O)[O-])nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000005140024 181208411 /nfs/dbraw/zinc/20/84/11/181208411.db2.gz HDKJDEMEEAAECW-UHFFFAOYSA-N -1 0 310.314 1.208 50 5 DDBARM CCOC(=O)c1nc[n-]c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006783904 181387560 /nfs/dbraw/zinc/38/75/60/181387560.db2.gz KREPWCAHIBLEAU-UHFFFAOYSA-N -1 0 304.262 1.747 50 5 DDBARM COC(=O)[C@]1(C(=O)[O-])Cc2cc([N+](=O)[O-])ccc2N2CCC[C@@H]21 ZINC000006671691 291968102 /nfs/dbraw/zinc/96/81/02/291968102.db2.gz VVDMOGJPPTWGSX-IUODEOHRSA-N -1 0 320.301 1.364 50 5 DDBARM C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nnn[n-]1 ZINC000097141346 407282451 /nfs/dbraw/zinc/28/24/51/407282451.db2.gz YXCCETRUXJFACD-SSDOTTSWSA-N -1 0 315.293 1.123 50 5 DDBARM CC1(C)OC(=O)C(=C([O-])Cc2ccccc2[N+](=O)[O-])C(=O)O1 ZINC000526059746 262504262 /nfs/dbraw/zinc/50/42/62/262504262.db2.gz CDZXEMHOWMKHMA-UHFFFAOYSA-N -1 0 307.258 1.786 50 5 DDBARM O=C([O-])[C@H]1CC(=O)N(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000585122776 354810285 /nfs/dbraw/zinc/81/02/85/354810285.db2.gz FPSYJTNBAAYHJT-LURJTMIESA-N -1 0 307.287 1.642 50 5 DDBARM Cn1cc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)c([N+](=O)[O-])n1 ZINC000089749828 192857961 /nfs/dbraw/zinc/85/79/61/192857961.db2.gz RRPOJPHQAKXIJL-UHFFFAOYSA-N -1 0 322.306 1.005 50 5 DDBARM O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-] ZINC000000284622 406636997 /nfs/dbraw/zinc/63/69/97/406636997.db2.gz BALIVYAZKSHEMY-UHFFFAOYSA-N -1 0 311.253 1.536 50 5 DDBARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000000323746 406639169 /nfs/dbraw/zinc/63/91/69/406639169.db2.gz NEGZMRXQWUTVEF-SECBINFHSA-N -1 0 314.319 1.080 50 5 DDBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC(OCC(F)F)C1 ZINC000170017783 484094575 /nfs/dbraw/zinc/09/45/75/484094575.db2.gz XFTWDJVUYUOCEK-UHFFFAOYSA-N -1 0 302.233 1.407 50 5 DDBARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000003864744 181051155 /nfs/dbraw/zinc/05/11/55/181051155.db2.gz AVATZSJXFSPYLU-VIFPVBQESA-N -1 0 314.319 1.080 50 5 DDBARM CCOc1ccccc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000004854692 181163754 /nfs/dbraw/zinc/16/37/54/181163754.db2.gz PNNZVKGDRXJJHJ-BQYQJAHWSA-N -1 0 303.274 1.953 50 5 DDBARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000335488 303349124 /nfs/dbraw/zinc/34/91/24/303349124.db2.gz SDNWGRHMQURCMC-UHFFFAOYSA-N -1 0 321.314 1.495 50 5 DDBARM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n(C)n1 ZINC000066247836 184398751 /nfs/dbraw/zinc/39/87/51/184398751.db2.gz PWLLTBWWCVUUHP-UHFFFAOYSA-N -1 0 310.335 1.746 50 5 DDBARM O=C([O-])CS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001149869 406664917 /nfs/dbraw/zinc/66/49/17/406664917.db2.gz ZJFDGCCATHSCKB-UHFFFAOYSA-N -1 0 313.209 1.472 50 5 DDBARM Cc1c(CC(=O)N(C)C[C@H](C)c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000124504284 407360457 /nfs/dbraw/zinc/36/04/57/407360457.db2.gz SVKYLMUZKKAKMP-VIFPVBQESA-N -1 0 318.337 1.221 50 5 DDBARM Cc1cc([O-])c([C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c(=O)o1 ZINC000000038123 180674872 /nfs/dbraw/zinc/67/48/72/180674872.db2.gz BPPXNXWFEJCLDO-SNVBAGLBSA-N -1 0 319.269 1.791 50 5 DDBARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000323737 304106166 /nfs/dbraw/zinc/10/61/66/304106166.db2.gz XIEJNYFIRWWUEH-NSHDSACASA-N -1 0 314.319 1.223 50 5 DDBARM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000019989205 182174541 /nfs/dbraw/zinc/17/45/41/182174541.db2.gz IHBFUADXWUOHQX-LLVKDONJSA-N -1 0 316.335 1.291 50 5 DDBARM CCOc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000008478899 406787486 /nfs/dbraw/zinc/78/74/86/406787486.db2.gz CADGAHNIRMQUSV-VOTSOKGWSA-N -1 0 303.274 1.541 50 5 DDBARM CCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000072296101 406879516 /nfs/dbraw/zinc/87/95/16/406879516.db2.gz AORRXEYRFHLZLV-UHFFFAOYSA-N -1 0 321.742 1.435 50 5 DDBARM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000230185809 303861055 /nfs/dbraw/zinc/86/10/55/303861055.db2.gz BFAFRBGGKUSJTI-WDMOLILDSA-N -1 0 306.318 1.988 50 5 DDBARM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C)n1 ZINC000009338452 181615682 /nfs/dbraw/zinc/61/56/82/181615682.db2.gz OKHIDXNCHWZKLV-UHFFFAOYSA-N -1 0 312.307 1.138 50 5 DDBARM COc1cc2nc3ccc(C(=O)[O-])cn3c(=O)c2cc1OC ZINC000012901175 295044964 /nfs/dbraw/zinc/04/49/64/295044964.db2.gz QWRHTZPOEZVLID-UHFFFAOYSA-N -1 0 300.270 1.563 50 5 DDBARM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1[O-] ZINC000163390585 197627236 /nfs/dbraw/zinc/62/72/36/197627236.db2.gz OFZOSGKWAWJJJI-IRUJWGPZSA-N -1 0 306.318 1.988 50 5 DDBARM CCOCCOc1cccc([N+](=O)[O-])c1[N-]S(C)(=O)=O ZINC000003997651 181060760 /nfs/dbraw/zinc/06/07/60/181060760.db2.gz ABYJKACWFVHSCY-UHFFFAOYSA-N -1 0 304.324 1.382 50 5 DDBARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2CO)c1 ZINC000004662689 181133361 /nfs/dbraw/zinc/13/33/61/181133361.db2.gz ZRCKXYJNXNCHRM-UHFFFAOYSA-N -1 0 308.315 1.888 50 5 DDBARM Cc1cc([O-])c([C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c(=O)o1 ZINC000000038122 406615701 /nfs/dbraw/zinc/61/57/01/406615701.db2.gz BPPXNXWFEJCLDO-JTQLQIEISA-N -1 0 319.269 1.791 50 5 DDBARM COCCNc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1[N+](=O)[O-] ZINC000012804467 406852139 /nfs/dbraw/zinc/85/21/39/406852139.db2.gz RJZNUFUIAYPYNJ-SECBINFHSA-N -1 0 323.305 1.091 50 5 DDBARM COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1 ZINC000036047193 406976031 /nfs/dbraw/zinc/97/60/31/406976031.db2.gz VIAGTPKCPQRGFQ-LLVKDONJSA-N -1 0 307.262 1.101 50 5 DDBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000119273818 418501937 /nfs/dbraw/zinc/50/19/37/418501937.db2.gz NQJHRROJZZGTAJ-RISCZKNCSA-N -1 0 306.318 1.942 50 5 DDBARM O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000157085781 197161235 /nfs/dbraw/zinc/16/12/35/197161235.db2.gz KIWOBGGOKURTFZ-HZMBPMFUSA-N -1 0 306.318 1.988 50 5 DDBARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000006975193 406744598 /nfs/dbraw/zinc/74/45/98/406744598.db2.gz POMPNCLLEDDFHV-UHFFFAOYSA-N -1 0 310.335 1.746 50 5 DDBARM O=c1[n-]c(=O)n(Cc2csc(-c3ccoc3)n2)cc1[N+](=O)[O-] ZINC000072292148 406879533 /nfs/dbraw/zinc/87/95/33/406879533.db2.gz XOMIMEZARROXPX-UHFFFAOYSA-N -1 0 320.286 1.210 50 5 DDBARM C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C(=O)[O-])O1 ZINC000095991968 407221848 /nfs/dbraw/zinc/22/18/48/407221848.db2.gz LJXOKNBGSIVUCQ-RDWLMQIYSA-N -1 0 320.301 1.309 50 5 DDBARM O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000022160953 182312286 /nfs/dbraw/zinc/31/22/86/182312286.db2.gz FBCFVPUVDWXDOD-GFCCVEGCSA-N -1 0 319.273 1.054 50 5 DDBARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc([N+](=O)[O-])c1OC ZINC000000070070 406617902 /nfs/dbraw/zinc/61/79/02/406617902.db2.gz PKVVJOTVEOPTFQ-RDDDGLTNSA-N -1 0 314.319 1.400 50 5 DDBARM O=C(NCc1nccn1C(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000097052540 407277105 /nfs/dbraw/zinc/27/71/05/407277105.db2.gz CKZJNLAWIOKQQU-UHFFFAOYSA-N -1 0 312.232 1.822 50 5 DDBARM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc([N+](=O)[O-])cn1 ZINC000097147812 407282763 /nfs/dbraw/zinc/28/27/63/407282763.db2.gz PSKMEEYAJYVBIL-UHFFFAOYSA-N -1 0 317.330 1.924 50 5 DDBARM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1 ZINC000069674829 418488112 /nfs/dbraw/zinc/48/81/12/418488112.db2.gz ASVDWNUSTWPFKU-UHFFFAOYSA-N -1 0 307.331 2.407 50 5 DDBARM O=c1nc2n(Cc3ccccc3)c3ccccc3nc-2c(=O)[n-]1 ZINC000001593749 180876985 /nfs/dbraw/zinc/87/69/85/180876985.db2.gz SXXXKEQNJUOXFV-UHFFFAOYSA-N -1 0 304.309 1.633 50 5 DDBARM Cc1n[n-]c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc1=O ZINC000002606617 406690447 /nfs/dbraw/zinc/69/04/47/406690447.db2.gz FIPHVRZBIBNWMA-UHFFFAOYSA-N -1 0 321.318 1.112 50 5 DDBARM CCOc1cc([N+](=O)[O-])c(C(=O)NCCC(=O)[O-])cc1OC ZINC000095969656 407218827 /nfs/dbraw/zinc/21/88/27/407218827.db2.gz MBIQKVUWZYMVCJ-UHFFFAOYSA-N -1 0 312.278 1.207 50 5 DDBARM Cc1cnc([N+](=O)[O-])n1CCOC([O-])=NC(=O)c1ccccc1 ZINC000001422268 180864734 /nfs/dbraw/zinc/86/47/34/180864734.db2.gz AYAJSTHXDYDWFA-UHFFFAOYSA-N -1 0 318.289 1.666 50 5 DDBARM C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nnn[n-]1 ZINC000097141344 407282171 /nfs/dbraw/zinc/28/21/71/407282171.db2.gz YXCCETRUXJFACD-ZETCQYMHSA-N -1 0 315.293 1.123 50 5 DDBARM CCOc1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cn1 ZINC000170594574 407445477 /nfs/dbraw/zinc/44/54/77/407445477.db2.gz QEWDDNRHBYKRPP-UHFFFAOYSA-N -1 0 324.318 1.584 50 5 DDBARM O=C(Nc1cccc([N+](=O)[O-])c1)C([O-])=CC(O)=C1CCCC1=O ZINC000033599763 352291042 /nfs/dbraw/zinc/29/10/42/352291042.db2.gz WTYSXZBNUUPPEU-NSHDSACASA-N -1 0 318.285 1.431 50 5 DDBARM CN(C)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000078556722 191884799 /nfs/dbraw/zinc/88/47/99/191884799.db2.gz XZXDKCFXIVBMOZ-UHFFFAOYSA-N -1 0 322.346 1.857 50 5 DDBARM COc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1 ZINC000330032702 410523750 /nfs/dbraw/zinc/52/37/50/410523750.db2.gz RGVWUCVEHWNPDV-UHFFFAOYSA-N -1 0 324.318 1.503 50 5 DDBARM CC(C)C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000000084645 279002945 /nfs/dbraw/zinc/00/29/45/279002945.db2.gz VRHVHBIUCNRUOK-SECBINFHSA-N -1 0 316.335 1.372 50 5 DDBARM Nc1nc(NCC(=O)[O-])nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000005249761 181221874 /nfs/dbraw/zinc/22/18/74/181221874.db2.gz LZVMOACGJGYENA-UHFFFAOYSA-N -1 0 318.293 1.076 50 5 DDBARM O=C([O-])CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000004323728 304052719 /nfs/dbraw/zinc/05/27/19/304052719.db2.gz WQPHHBJMDSZBPO-UHFFFAOYSA-N -1 0 314.253 1.819 50 5 DDBARM C[C@@H](COCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000063698656 407234182 /nfs/dbraw/zinc/23/41/82/407234182.db2.gz GDFFJRDTUPGTIT-ZETCQYMHSA-N -1 0 322.239 1.998 50 5 DDBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000119273955 418502047 /nfs/dbraw/zinc/50/20/47/418502047.db2.gz NQJHRROJZZGTAJ-SMDDNHRTSA-N -1 0 306.318 1.942 50 5 DDBARM O=C(Nc1nnn[n-]1)c1cc2c(ccc3ccccc32)oc1=O ZINC000006536457 304023079 /nfs/dbraw/zinc/02/30/79/304023079.db2.gz PAKHYWQLFCUVLP-UHFFFAOYSA-N -1 0 307.269 1.712 50 5 DDBARM NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005000156 181188223 /nfs/dbraw/zinc/18/82/23/181188223.db2.gz YCJMCFQFHGOHSP-UHFFFAOYSA-N -1 0 321.314 1.495 50 5 DDBARM O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000157189193 197168499 /nfs/dbraw/zinc/16/84/99/197168499.db2.gz CQADNTWGSVTSJQ-RISCZKNCSA-N -1 0 306.318 1.988 50 5 DDBARM CC(C)C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000000084643 406621301 /nfs/dbraw/zinc/62/13/01/406621301.db2.gz VRHVHBIUCNRUOK-VIFPVBQESA-N -1 0 316.335 1.372 50 5 DDBARM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H](n2cccn2)C1 ZINC000097109057 407281036 /nfs/dbraw/zinc/28/10/36/407281036.db2.gz TWGTZBXKJUPBFD-GFCCVEGCSA-N -1 0 316.317 1.974 50 5 DDBARM Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000003186670 406712439 /nfs/dbraw/zinc/71/24/39/406712439.db2.gz NFVJJDIJKYOTTE-UHFFFAOYSA-N -1 0 309.303 1.683 50 5 DDBARM COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1C ZINC000013943437 406868430 /nfs/dbraw/zinc/86/84/30/406868430.db2.gz LTLQRQHFHZSCEN-AATRIKPKSA-N -1 0 303.274 1.871 50 5 DDBARM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[S@@]1=O ZINC000242346967 407915866 /nfs/dbraw/zinc/91/58/66/407915866.db2.gz ZKRWVMFFVQCFOQ-BTKVJGODSA-N -1 0 312.347 1.284 50 5 DDBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N(C[C@@H]1CCOC1)C1CC1 ZINC000164379731 186157956 /nfs/dbraw/zinc/15/79/56/186157956.db2.gz JJKVKJPNLZLXOS-JTQLQIEISA-N -1 0 306.318 1.942 50 5 DDBARM O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1S(=O)(=O)[O-] ZINC000004255672 406723313 /nfs/dbraw/zinc/72/33/13/406723313.db2.gz IVFGXTYRSDHGSH-UHFFFAOYSA-N -1 0 316.169 1.769 50 5 DDBARM O=C(NCc1nc(=O)o[n-]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000095467237 185372002 /nfs/dbraw/zinc/37/20/02/185372002.db2.gz YUUBAPHJEOPTBS-UHFFFAOYSA-N -1 0 313.657 1.659 50 5 DDBARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cn1)C2=O ZINC000004182126 295990696 /nfs/dbraw/zinc/99/06/96/295990696.db2.gz PWUIMGAWTLBLAL-UHFFFAOYSA-N -1 0 313.225 1.489 50 5 DDBARM O=C([O-])[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000261711202 203100041 /nfs/dbraw/zinc/10/00/41/203100041.db2.gz PFIQRMYXXZWYIY-GFCCVEGCSA-N -1 0 308.290 1.439 50 5 DDBARM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc([N+](=O)[O-])c1[O-] ZINC000230181628 407682967 /nfs/dbraw/zinc/68/29/67/407682967.db2.gz OFZOSGKWAWJJJI-NDMJEZRESA-N -1 0 306.318 1.988 50 5 DDBARM CS(=O)(=O)[N-]c1cc(N2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000075260092 353356658 /nfs/dbraw/zinc/35/66/58/353356658.db2.gz PGLNWGLUMRCVGC-UHFFFAOYSA-N -1 0 303.315 1.706 50 5 DDBARM COc1cc(NCCCc2n[nH]c(=O)[n-]2)c([N+](=O)[O-])cc1F ZINC000089420819 407133341 /nfs/dbraw/zinc/13/33/41/407133341.db2.gz JZVJCGJVHJFEOP-UHFFFAOYSA-N -1 0 311.273 1.199 50 5 DDBARM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850889576 703762235 /nfs/dbraw/zinc/76/22/35/703762235.db2.gz WKRVZUGVWYFLTA-QMMMGPOBSA-N -1 0 318.326 1.975 50 5 DDBARM COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC000004501587 181115893 /nfs/dbraw/zinc/11/58/93/181115893.db2.gz PKSLOHMKDSSQHQ-HWKANZROSA-N -1 0 319.273 1.571 50 5 DDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)ccc2O)[nH]1 ZINC000005670586 181270077 /nfs/dbraw/zinc/27/00/77/181270077.db2.gz UPJPSXQYNXCKSQ-HNQUOIGGSA-N -1 0 309.665 1.501 50 5 DDBARM Cc1nn(CC(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000002767513 406698385 /nfs/dbraw/zinc/69/83/85/406698385.db2.gz UKWLVGQTSDHDTF-UHFFFAOYSA-N -1 0 318.289 1.745 50 5 DDBARM O=c1[n-]n(-c2ccccc2)c(=O)n1Cc1cccc([N+](=O)[O-])c1 ZINC000007652746 406764096 /nfs/dbraw/zinc/76/40/96/406764096.db2.gz LIFXZWQYFIYKAT-UHFFFAOYSA-N -1 0 312.285 1.696 50 5 DDBARM CN(CC(=O)[O-])C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000153079937 407751497 /nfs/dbraw/zinc/75/14/97/407751497.db2.gz BLNSGOZIMVKBMZ-UHFFFAOYSA-N -1 0 324.336 1.698 50 5 DDBARM COc1cc(NC(=O)c2nn(C)cc2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000020614481 182238814 /nfs/dbraw/zinc/23/88/14/182238814.db2.gz PVYZVKAPHXNEPE-UHFFFAOYSA-N -1 0 320.261 1.287 50 5 DDBARM COC(=O)[C@]1(F)CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000328586967 533628695 /nfs/dbraw/zinc/62/86/95/533628695.db2.gz STYWMDLVLXYSLM-ZDUSSCGKSA-N -1 0 312.253 1.028 50 5 DDBARM Cc1cc(=O)n(Cc2nc(=O)c3sccc3[n-]2)cc1[N+](=O)[O-] ZINC000084072211 353716144 /nfs/dbraw/zinc/71/61/44/353716144.db2.gz UJNPNCAYJZAGBC-UHFFFAOYSA-N -1 0 318.314 1.411 50 5 DDBARM Cn1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000004619210 181130050 /nfs/dbraw/zinc/13/00/50/181130050.db2.gz BYRJVWYXXQKXCP-UHFFFAOYSA-N -1 0 321.318 1.161 50 5 DDBARM O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000157189645 197169299 /nfs/dbraw/zinc/16/92/99/197169299.db2.gz CQADNTWGSVTSJQ-SMDDNHRTSA-N -1 0 306.318 1.988 50 5 DDBARM Cc1nn(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000069562413 406735125 /nfs/dbraw/zinc/73/51/25/406735125.db2.gz WGUXGUQZMZIZOH-UHFFFAOYSA-N -1 0 310.335 1.746 50 5 DDBARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000017052656 182071427 /nfs/dbraw/zinc/07/14/27/182071427.db2.gz CMWJXJNJJUTZII-UHFFFAOYSA-N -1 0 314.298 1.577 50 5 DDBARM O=C([O-])CCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004159775 181079757 /nfs/dbraw/zinc/07/97/57/181079757.db2.gz QWFGODBVEMONPJ-UHFFFAOYSA-N -1 0 316.335 1.518 50 5 DDBARM O=C([O-])c1nnsc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008694221 181573317 /nfs/dbraw/zinc/57/33/17/181573317.db2.gz AEPVJJFXPKHYKZ-UHFFFAOYSA-N -1 0 309.263 1.789 50 5 DDBARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ncc([N+](=O)[O-])s1)C2=O ZINC000004695674 406725907 /nfs/dbraw/zinc/72/59/07/406725907.db2.gz LZNJPFFFDSEXLN-UHFFFAOYSA-N -1 0 319.254 1.550 50 5 DDBARM O=c1[n-]c(=O)n(Cc2csc(-c3ccco3)n2)cc1[N+](=O)[O-] ZINC000071905447 406865775 /nfs/dbraw/zinc/86/57/75/406865775.db2.gz XTYARICBAZZTRX-UHFFFAOYSA-N -1 0 320.286 1.210 50 5 DDBARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000037326169 406988020 /nfs/dbraw/zinc/98/80/20/406988020.db2.gz ZVQXPQCZFKAEDG-AOOOYVTPSA-N -1 0 314.363 1.967 50 5 DDBARM COc1ncccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047521281 407075185 /nfs/dbraw/zinc/07/51/85/407075185.db2.gz KJKYPDYLPDTRRM-UHFFFAOYSA-N -1 0 309.303 1.799 50 5 DDBARM Cc1ccnc(N2CCC(c3nc(=O)[n-][nH]3)CC2)c1[N+](=O)[O-] ZINC000225534527 278983930 /nfs/dbraw/zinc/98/39/30/278983930.db2.gz QDUDJJCMGKFTJJ-UHFFFAOYSA-N -1 0 304.310 1.094 50 5 DDBARM Cc1cc([N+](=O)[O-])nn1CCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002808049 180960496 /nfs/dbraw/zinc/96/04/96/180960496.db2.gz PKOHKOLENDXBMP-UHFFFAOYSA-N -1 0 318.289 1.827 50 5 DDBARM COC(=O)c1cc(F)cc([N+](=O)[O-])c1C([O-])=Cc1ncnn1C ZINC000095837040 353912973 /nfs/dbraw/zinc/91/29/73/353912973.db2.gz NIYWPALNWVTHPJ-UHFFFAOYSA-N -1 0 322.252 1.074 50 5 DDBARM O=C([O-])CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003880264 181051694 /nfs/dbraw/zinc/05/16/94/181051694.db2.gz AZFNCTKLXPCREM-UHFFFAOYSA-N -1 0 321.333 1.498 50 5 DDBARM O=C([O-])CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000006673538 181368838 /nfs/dbraw/zinc/36/88/38/181368838.db2.gz QWJAOVAPCNTUBQ-UHFFFAOYSA-N -1 0 324.336 1.746 50 5 DDBARM CCCC[C@H](C(=O)[O-])N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000017031272 182069311 /nfs/dbraw/zinc/06/93/11/182069311.db2.gz JPCYRWOPSGEQFC-LLVKDONJSA-N -1 0 306.274 1.834 50 5 DDBARM O=C([O-])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000169240 406627154 /nfs/dbraw/zinc/62/71/54/406627154.db2.gz XNSKDSWGZNOIHJ-UHFFFAOYSA-N -1 0 314.319 1.080 50 5 DDBARM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)n1cc([N+](=O)[O-])cn1 ZINC000002732804 406697111 /nfs/dbraw/zinc/69/71/11/406697111.db2.gz SWHQDANMWBNOAV-MRVPVSSYSA-N -1 0 304.262 1.689 50 5 DDBARM CCC(CC)(CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000095464103 185371625 /nfs/dbraw/zinc/37/16/25/185371625.db2.gz QAUPOSIKWLEFNL-UHFFFAOYSA-N -1 0 309.322 1.798 50 5 DDBARM COc1cc([N+](=O)[O-])ccc1[N-]c1ncnc(N)c1[N+](=O)[O-] ZINC000003912596 181058134 /nfs/dbraw/zinc/05/81/34/181058134.db2.gz BMULDUFXVMSABZ-UHFFFAOYSA-N -1 0 306.238 1.627 50 5 DDBARM Cc1c([N+](=O)[O-])cnn1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002732868 406696492 /nfs/dbraw/zinc/69/64/92/406696492.db2.gz KWLMAKMZMSVYCY-UHFFFAOYSA-N -1 0 304.262 1.437 50 5 DDBARM COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1 ZINC000036226565 406978572 /nfs/dbraw/zinc/97/85/72/406978572.db2.gz IGEFVDJQFCQCST-LBPRGKRZSA-N -1 0 321.289 1.444 50 5 DDBARM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000037326170 406987586 /nfs/dbraw/zinc/98/75/86/406987586.db2.gz ZVQXPQCZFKAEDG-UWVGGRQHSA-N -1 0 314.363 1.967 50 5 DDBARM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[S@]1=O ZINC000242346969 407915934 /nfs/dbraw/zinc/91/59/34/407915934.db2.gz ZKRWVMFFVQCFOQ-JLTPVHFHSA-N -1 0 312.347 1.284 50 5 DDBARM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[S@]1=O ZINC000242346970 299958003 /nfs/dbraw/zinc/95/80/03/299958003.db2.gz ZKRWVMFFVQCFOQ-FPVGNUTFSA-N -1 0 312.347 1.284 50 5 DDBARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1 ZINC000194642802 337383548 /nfs/dbraw/zinc/38/35/48/337383548.db2.gz DLSYIDADDGNNPG-UHFFFAOYSA-N -1 0 319.302 1.667 50 5 DDBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nnc2ccccn21 ZINC000079029260 185147632 /nfs/dbraw/zinc/14/76/32/185147632.db2.gz WAOPSCNYUPTYML-UHFFFAOYSA-N -1 0 319.302 1.438 50 5 DDBARM C[C@@H](c1cnn(C)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000119012285 354001516 /nfs/dbraw/zinc/00/15/16/354001516.db2.gz KGHSBKRNHUAHFS-VIFPVBQESA-N -1 0 304.306 1.867 50 5 DDBARM O=C([O-])CCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O ZINC000004258322 304052609 /nfs/dbraw/zinc/05/26/09/304052609.db2.gz QKIPXSPXLPYYIO-UHFFFAOYSA-N -1 0 314.253 1.819 50 5 DDBARM COC(=O)[C@@](O)(c1cc(C)c([O-])c([N+](=O)[O-])c1)C(F)(F)F ZINC000034763303 406965891 /nfs/dbraw/zinc/96/58/91/406965891.db2.gz WJLNJOXWYJRUDL-JTQLQIEISA-N -1 0 309.196 1.532 50 5 DDBARM COc1n[nH]c(C(=O)Nc2cccc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000006160489 181317090 /nfs/dbraw/zinc/31/70/90/181317090.db2.gz VFTHHHNXEHVOMX-UHFFFAOYSA-N -1 0 306.234 1.277 50 5 DDBARM O=C([O-])/C=C\C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000032666610 182654413 /nfs/dbraw/zinc/65/44/13/182654413.db2.gz ZMFAFRFJTWPINJ-ARJAWSKDSA-N -1 0 315.079 1.937 50 5 DDBARM O=c1[nH]c(C=Cc2ccc(O)c(Cl)c2)nc([O-])c1[N+](=O)[O-] ZINC000009234792 406805447 /nfs/dbraw/zinc/80/54/47/406805447.db2.gz YYXAHYHYXQLSIZ-DUXPYHPUSA-N -1 0 309.665 1.913 50 5 DDBARM O=c1[nH]c(C=Cc2ccc(O)c(Cl)c2)nc([O-])c1[N+](=O)[O-] ZINC000013482090 406862803 /nfs/dbraw/zinc/86/28/03/406862803.db2.gz YYXAHYHYXQLSIZ-RQOWECAXSA-N -1 0 309.665 1.913 50 5 DDBARM CCOc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1O ZINC000004454550 181110920 /nfs/dbraw/zinc/11/09/20/181110920.db2.gz KYTGZXDGFOQKLJ-VOTSOKGWSA-N -1 0 319.273 1.658 50 5 DDBARM O=C([O-])CN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O ZINC000003899046 304067274 /nfs/dbraw/zinc/06/72/74/304067274.db2.gz NZFZKMVXWPQWCN-UHFFFAOYSA-N -1 0 300.226 1.429 50 5 DDBARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000022160957 182312289 /nfs/dbraw/zinc/31/22/89/182312289.db2.gz FBCFVPUVDWXDOD-LBPRGKRZSA-N -1 0 319.273 1.054 50 5 DDBARM Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002730808 406696503 /nfs/dbraw/zinc/69/65/03/406696503.db2.gz JGKWVYOQVXBESL-VIFPVBQESA-N -1 0 318.289 1.998 50 5 DDBARM CCOc1cc([N-]S(=O)(=O)C[C@@H](C)OC)ccc1[N+](=O)[O-] ZINC000585129192 771962963 /nfs/dbraw/zinc/96/29/63/771962963.db2.gz AXLXMDBYEWONHM-SECBINFHSA-N -1 0 318.351 1.770 50 5 DDBARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000003864746 181050737 /nfs/dbraw/zinc/05/07/37/181050737.db2.gz CHGFLZJPAZABLC-LLVKDONJSA-N -1 0 314.319 1.223 50 5 DDBARM CCCC[C@@H](C(=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000002502215 406689729 /nfs/dbraw/zinc/68/97/29/406689729.db2.gz OKWNWDANXPWWHI-JTQLQIEISA-N -1 0 306.274 1.834 50 5 DDBARM Nc1nc(NCC(=O)[O-])nc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000005163267 181212459 /nfs/dbraw/zinc/21/24/59/181212459.db2.gz OMLZOONVGGQZHU-UHFFFAOYSA-N -1 0 322.256 1.346 50 5 DDBARM O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000157086060 197160572 /nfs/dbraw/zinc/16/05/72/197160572.db2.gz KIWOBGGOKURTFZ-IINYFYTJSA-N -1 0 306.318 1.988 50 5 DDBARM CC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000072281362 406878663 /nfs/dbraw/zinc/87/86/63/406878663.db2.gz JDJPXGMBVWAFCG-MRVPVSSYSA-N -1 0 315.351 1.283 50 5 DDBARM CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000262868360 407958117 /nfs/dbraw/zinc/95/81/17/407958117.db2.gz INHOZNMQKJEBPX-GFCCVEGCSA-N -1 0 310.306 1.833 50 5 DDBARM CCCC[C@H](C(=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000004162333 181079394 /nfs/dbraw/zinc/07/93/94/181079394.db2.gz OKWNWDANXPWWHI-SNVBAGLBSA-N -1 0 306.274 1.834 50 5 DDBARM O=C(CSc1nncc(=O)[n-]1)Nc1cccc([N+](=O)[O-])c1 ZINC000004248966 181087846 /nfs/dbraw/zinc/08/78/46/181087846.db2.gz QTYZHICKOPCUSZ-UHFFFAOYSA-N -1 0 307.291 1.216 50 5 DDBARM NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000006214069 181319772 /nfs/dbraw/zinc/31/97/72/181319772.db2.gz WMUODVQJKLVMSA-UHFFFAOYSA-N -1 0 321.314 1.495 50 5 DDBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000119273664 418501822 /nfs/dbraw/zinc/50/18/22/418501822.db2.gz NQJHRROJZZGTAJ-BXUZGUMPSA-N -1 0 306.318 1.942 50 5 DDBARM CCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000864087933 706064094 /nfs/dbraw/zinc/06/40/94/706064094.db2.gz WYRLRLFREWFVAK-UHFFFAOYSA-N -1 0 306.727 1.853 50 5 DDBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)c(Cl)c1 ZINC000061844819 184189636 /nfs/dbraw/zinc/18/96/36/184189636.db2.gz LGJWEESDZFGJLR-UHFFFAOYSA-N -1 0 303.687 1.167 50 5 DDBARM O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000157085629 197161056 /nfs/dbraw/zinc/16/10/56/197161056.db2.gz KIWOBGGOKURTFZ-YGRLFVJLSA-N -1 0 306.318 1.988 50 5 DDBARM COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(C)C(=S)N2C)c1[O-] ZINC000016226072 277389568 /nfs/dbraw/zinc/38/95/68/277389568.db2.gz LQLUDOIONSJJJL-UITAMQMPSA-N -1 0 323.330 1.339 50 5 DDBARM C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H](C(=O)[O-])O1 ZINC000222174452 697756643 /nfs/dbraw/zinc/75/66/43/697756643.db2.gz LJXOKNBGSIVUCQ-GQPKQTGRSA-N -1 0 320.301 1.309 50 5 DDBARM COC(=O)[C@@]1(F)CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000328586966 533143583 /nfs/dbraw/zinc/14/35/83/533143583.db2.gz STYWMDLVLXYSLM-CYBMUJFWSA-N -1 0 312.253 1.028 50 5 DDBARM Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000000182484 406630033 /nfs/dbraw/zinc/63/00/33/406630033.db2.gz MUXGECPMCVCODZ-UHFFFAOYSA-N -1 0 324.296 1.997 50 5 DDBARM CC[C@@](C)(NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC000095424541 185361460 /nfs/dbraw/zinc/36/14/60/185361460.db2.gz BKQMCQVPTWYAEL-CYBMUJFWSA-N -1 0 312.326 1.168 50 5 DDBARM O=C([O-])CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000004381589 304067220 /nfs/dbraw/zinc/06/72/20/304067220.db2.gz UUKPZTCALHTJEN-UHFFFAOYSA-N -1 0 300.226 1.429 50 5 DDBARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000000323749 406639913 /nfs/dbraw/zinc/63/99/13/406639913.db2.gz NEGZMRXQWUTVEF-VIFPVBQESA-N -1 0 314.319 1.080 50 5 DDBARM Cc1nnc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000095995773 407221602 /nfs/dbraw/zinc/22/16/02/407221602.db2.gz MCZRVZJPRWDCOL-UHFFFAOYSA-N -1 0 314.348 1.697 50 5 DDBARM O=c1[n-]c(=O)n(CCCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000075612009 353372127 /nfs/dbraw/zinc/37/21/27/353372127.db2.gz YPZACLZPGDBJEC-UHFFFAOYSA-N -1 0 309.253 1.053 50 5 DDBARM COc1ccc(/C=C/C(=O)[O-])cc1Cn1cc([N+](=O)[O-])cn1 ZINC000006406578 181338477 /nfs/dbraw/zinc/33/84/77/181338477.db2.gz XGUBWDYKUHBGMM-HWKANZROSA-N -1 0 303.274 1.946 50 5 DDBARM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850889575 703762147 /nfs/dbraw/zinc/76/21/47/703762147.db2.gz WKRVZUGVWYFLTA-MRVPVSSYSA-N -1 0 318.326 1.975 50 5 DDBARM O=C([O-])C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000004428048 181109252 /nfs/dbraw/zinc/10/92/52/181109252.db2.gz JBNMJWTUJUPUNW-NEPJUHHUSA-N -1 0 308.290 1.803 50 5 DDBARM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)n1cc([N+](=O)[O-])cn1 ZINC000002732803 406697219 /nfs/dbraw/zinc/69/72/19/406697219.db2.gz SWHQDANMWBNOAV-QMMMGPOBSA-N -1 0 304.262 1.689 50 5 DDBARM CC1(C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H]2CCO[C@@H]21 ZINC000153592502 281513115 /nfs/dbraw/zinc/51/31/15/281513115.db2.gz QDUMGXPHOAWVIU-BIMULSAOSA-N -1 0 306.318 1.844 50 5 DDBARM O=C([O-])C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000004428047 181109246 /nfs/dbraw/zinc/10/92/46/181109246.db2.gz JBNMJWTUJUPUNW-RYUDHWBXSA-N -1 0 308.290 1.803 50 5 DDBARM CC(=O)Nc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000004501623 278187070 /nfs/dbraw/zinc/18/70/70/278187070.db2.gz ZMUVFOJMPJAQCL-QPJJXVBHSA-N -1 0 316.273 1.513 50 5 DDBARM CS(=O)(=O)c1ccc(NCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000004189097 181083279 /nfs/dbraw/zinc/08/32/79/181083279.db2.gz RVYQYWOSKUJJRN-UHFFFAOYSA-N -1 0 302.308 1.275 50 5 DDBARM CC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000072281363 406878635 /nfs/dbraw/zinc/87/86/35/406878635.db2.gz JDJPXGMBVWAFCG-QMMMGPOBSA-N -1 0 315.351 1.283 50 5 DDBARM CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]2CCO[C@@H]21 ZINC000157189590 281512429 /nfs/dbraw/zinc/51/24/29/281512429.db2.gz QVLSDOGXQOMYET-BIMULSAOSA-N -1 0 306.318 1.844 50 5 DDBARM Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(Cl)c1S(=O)(=O)[O-] ZINC000002054510 180907859 /nfs/dbraw/zinc/90/78/59/180907859.db2.gz UWTXLBHZBXHZCS-UHFFFAOYSA-N -1 0 317.710 1.989 50 5 DDBARM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C)c2)c1F ZINC000075109840 353347678 /nfs/dbraw/zinc/34/76/78/353347678.db2.gz NCHHSUHOLQZREG-UHFFFAOYSA-N -1 0 314.298 1.577 50 5 DDBARM O=C([O-])C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000004428050 181108871 /nfs/dbraw/zinc/10/88/71/181108871.db2.gz JBNMJWTUJUPUNW-VXGBXAGGSA-N -1 0 308.290 1.803 50 5 DDBARM O=c1nc(N2CCOCC2)nc(Nc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000003876999 406720433 /nfs/dbraw/zinc/72/04/33/406720433.db2.gz UABLHSWJGLVPKN-UHFFFAOYSA-N -1 0 318.293 1.066 50 5 DDBARM Cc1cc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])o3)o2)n(C)n1 ZINC000013614556 406863826 /nfs/dbraw/zinc/86/38/26/406863826.db2.gz RZSRIRXXCGYMKP-UHFFFAOYSA-N -1 0 318.249 1.532 50 5 DDBARM CCOc1ccccc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000033403675 406960274 /nfs/dbraw/zinc/96/02/74/406960274.db2.gz PNNZVKGDRXJJHJ-FPLPWBNLSA-N -1 0 303.274 1.953 50 5 DDBARM O=C([O-])CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003880210 181051923 /nfs/dbraw/zinc/05/19/23/181051923.db2.gz XTFUTQNQOZECIO-UHFFFAOYSA-N -1 0 307.306 1.108 50 5 DDBARM O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1[O-])c1cccnc1 ZINC000004888329 181168814 /nfs/dbraw/zinc/16/88/14/181168814.db2.gz BOEBZTUNNWPQJV-UHFFFAOYSA-N -1 0 318.314 1.822 50 5 DDBARM COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(OC)c1 ZINC000030843429 406934482 /nfs/dbraw/zinc/93/44/82/406934482.db2.gz KHEPPHVVSRQYAA-XQRVVYSFSA-N -1 0 319.273 1.159 50 5 DDBARM O=C([O-])c1ccc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000002808076 180960761 /nfs/dbraw/zinc/96/07/61/180960761.db2.gz NYMNXWCYMPNBPN-UHFFFAOYSA-N -1 0 318.289 1.908 50 5 DDBARM CCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000024577107 182384162 /nfs/dbraw/zinc/38/41/62/182384162.db2.gz NOHQGOSZTHRFIT-UHFFFAOYSA-N -1 0 310.335 1.920 50 5 DDBARM CSC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000271260752 407603700 /nfs/dbraw/zinc/60/37/00/407603700.db2.gz JMGGLCYHDKRKFC-LBPRGKRZSA-N -1 0 300.336 1.144 50 5 DDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000004361205 181102910 /nfs/dbraw/zinc/10/29/10/181102910.db2.gz CEVUCNMQOBOZIN-ZZXKWVIFSA-N -1 0 304.218 1.462 50 5 DDBARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cc([N+](=O)[O-])ccn1)C2=O ZINC000004981523 406730115 /nfs/dbraw/zinc/73/01/15/406730115.db2.gz PQFLZHBAMOAUCK-UHFFFAOYSA-N -1 0 313.225 1.489 50 5 DDBARM CN(C)c1ccc2[nH]c3c(C(=O)[O-])cc(=O)c(=O)c=3oc2c1 ZINC000018996060 406885082 /nfs/dbraw/zinc/88/50/82/406885082.db2.gz YBGOLOJQJWLUQP-UHFFFAOYSA-N -1 0 300.270 1.763 50 5 DDBARM COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1 ZINC000036047192 406975687 /nfs/dbraw/zinc/97/56/87/406975687.db2.gz VIAGTPKCPQRGFQ-NSHDSACASA-N -1 0 307.262 1.101 50 5 DDBARM COc1nccnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000095629675 353913070 /nfs/dbraw/zinc/91/30/70/353913070.db2.gz CFIMBINHVKTZCH-UHFFFAOYSA-N -1 0 310.291 1.194 50 5 DDBARM CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1O ZINC000004997380 181187549 /nfs/dbraw/zinc/18/75/49/181187549.db2.gz KUGRYNHEZVTTAN-HWKANZROSA-N -1 0 319.273 1.658 50 5 DDBARM Cc1nc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cs1 ZINC000097162588 407284271 /nfs/dbraw/zinc/28/42/71/407284271.db2.gz UCHQLLLKQBGWTL-UHFFFAOYSA-N -1 0 319.389 1.900 50 5 DDBARM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)c1nc(=O)[n-][nH]1 ZINC000170088538 408820303 /nfs/dbraw/zinc/82/03/03/408820303.db2.gz XHQKWJGEBBHJRZ-VIFPVBQESA-N -1 0 319.321 1.422 50 5 DDBARM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[S@@]1=O ZINC000242346968 296540919 /nfs/dbraw/zinc/54/09/19/296540919.db2.gz ZKRWVMFFVQCFOQ-AOUSDQRYSA-N -1 0 312.347 1.284 50 5 DDBARM Cc1nn(CC(=O)Nc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000002807961 180960328 /nfs/dbraw/zinc/96/03/28/180960328.db2.gz WXBGAXUUAKDMAK-UHFFFAOYSA-N -1 0 304.262 1.437 50 5 DDBARM COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1 ZINC000036226566 406978293 /nfs/dbraw/zinc/97/82/93/406978293.db2.gz IGEFVDJQFCQCST-GFCCVEGCSA-N -1 0 321.289 1.444 50 5 DDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)ccc2O)[nH]1 ZINC000033769393 406963286 /nfs/dbraw/zinc/96/32/86/406963286.db2.gz UPJPSXQYNXCKSQ-IWQZZHSRSA-N -1 0 309.665 1.913 50 5 DDBARM Cc1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)cc1[N+](=O)[O-] ZINC000020614741 182239004 /nfs/dbraw/zinc/23/90/04/182239004.db2.gz ZZRYXMXTOBCBSN-UHFFFAOYSA-N -1 0 304.262 1.587 50 5 DDBARM CCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000072081574 286186271 /nfs/dbraw/zinc/18/62/71/286186271.db2.gz LGNOACGEFPPWHO-ZDUSSCGKSA-N -1 0 321.333 1.576 50 5 DDBARM O=C([O-])CN1C(=O)S/C(=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000000966704 406661249 /nfs/dbraw/zinc/66/12/49/406661249.db2.gz JHSDXTLOBRHGEP-UITAMQMPSA-N -1 0 308.271 1.716 50 5 DDBARM O=C([O-])CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000002024388 406680102 /nfs/dbraw/zinc/68/01/02/406680102.db2.gz GGSDCOASHFUHDF-WEVVVXLNSA-N -1 0 308.271 1.716 50 5 DDBARM CC/C=C(\C)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000098009503 407303582 /nfs/dbraw/zinc/30/35/82/407303582.db2.gz JBYUJPLPEGMDFJ-ONNFQVAWSA-N -1 0 312.347 1.897 50 5 DDBARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000003864747 181051081 /nfs/dbraw/zinc/05/10/81/181051081.db2.gz CHGFLZJPAZABLC-NSHDSACASA-N -1 0 314.319 1.223 50 5 DDBARM O=C([O-])[C@@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000261711205 203100120 /nfs/dbraw/zinc/10/01/20/203100120.db2.gz PFIQRMYXXZWYIY-LBPRGKRZSA-N -1 0 308.290 1.439 50 5 DDBARM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119214103 303863468 /nfs/dbraw/zinc/86/34/68/303863468.db2.gz BFAFRBGGKUSJTI-JTNHKYCSSA-N -1 0 306.318 1.988 50 5 DDBARM Nc1nc(NCC(=O)[O-])nc(Nc2cccc(F)c2)c1[N+](=O)[O-] ZINC000004306358 181095111 /nfs/dbraw/zinc/09/51/11/181095111.db2.gz ARPIUXSDIAWUEV-UHFFFAOYSA-N -1 0 322.256 1.346 50 5 DDBARM CCOC(=O)c1ccc(NC(=O)c2nc[n-]c2[N+](=O)[O-])cc1 ZINC000005799579 181285281 /nfs/dbraw/zinc/28/52/81/181285281.db2.gz MDRMYWYIWMWOIX-UHFFFAOYSA-N -1 0 304.262 1.747 50 5 DDBARM CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1O ZINC000033395937 406960341 /nfs/dbraw/zinc/96/03/41/406960341.db2.gz KUGRYNHEZVTTAN-HYXAFXHYSA-N -1 0 319.273 1.658 50 5 DDBARM CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]2CCO[C@H]21 ZINC000230191688 407682391 /nfs/dbraw/zinc/68/23/91/407682391.db2.gz QVLSDOGXQOMYET-OASPWFOLSA-N -1 0 306.318 1.844 50 5 DDBARM Cn1cc([N+](=O)[O-])c(C(=O)NC2(C(=O)[O-])CCCCCC2)n1 ZINC000241368050 407908623 /nfs/dbraw/zinc/90/86/23/407908623.db2.gz MJRLEHFTJDHSQW-UHFFFAOYSA-N -1 0 310.310 1.236 50 5 DDBARM O=C([O-])[C@H]1CC(=O)N(c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000012736786 304174760 /nfs/dbraw/zinc/17/47/60/304174760.db2.gz IHOMIOLKZPOBBF-JTQLQIEISA-N -1 0 319.317 1.633 50 5 DDBARM O=c1nc(N2CCOCC2)nc(Nc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000009311772 406804275 /nfs/dbraw/zinc/80/42/75/406804275.db2.gz ZLWJIWDHQOSDKA-UHFFFAOYSA-N -1 0 318.293 1.066 50 5 DDBARM Nc1nc(NCC(=O)[O-])nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000006276916 181325905 /nfs/dbraw/zinc/32/59/05/181325905.db2.gz KCSWLLKKUYMOTH-UHFFFAOYSA-N -1 0 304.266 1.207 50 5 DDBARM CN(Cc1nc(=O)c2sccc2[n-]1)c1ncc([N+](=O)[O-])cn1 ZINC000097094782 407279853 /nfs/dbraw/zinc/27/98/53/407279853.db2.gz DOXPRUYTNNSWPF-UHFFFAOYSA-N -1 0 318.318 1.319 50 5 DDBARM Cc1n[n-]c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc1=O ZINC000004457668 181110599 /nfs/dbraw/zinc/11/05/99/181110599.db2.gz DRIXLWNUIONUOI-UHFFFAOYSA-N -1 0 321.318 1.112 50 5 DDBARM Cn1cc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)cn1 ZINC000195567450 407468496 /nfs/dbraw/zinc/46/84/96/407468496.db2.gz XPCLDYPRNLNQIU-JTQLQIEISA-N -1 0 316.317 1.664 50 5 DDBARM COC(=O)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000033907977 337358565 /nfs/dbraw/zinc/35/85/65/337358565.db2.gz IDRKHLKLEZUUIY-DAXSKMNVSA-N -1 0 317.257 1.341 50 5 DDBARM Nc1c(I)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000091692397 407183560 /nfs/dbraw/zinc/18/35/60/407183560.db2.gz VKNLWOAEKSUWLH-UHFFFAOYSA-N -1 0 308.031 1.480 50 5 DDBARM COCCNc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1[N+](=O)[O-] ZINC000012804457 406852391 /nfs/dbraw/zinc/85/23/91/406852391.db2.gz RJZNUFUIAYPYNJ-VIFPVBQESA-N -1 0 323.305 1.091 50 5 DDBARM COC(=O)[C@](O)(c1cc(C)c([O-])c([N+](=O)[O-])c1)C(F)(F)F ZINC000034763299 406964137 /nfs/dbraw/zinc/96/41/37/406964137.db2.gz WJLNJOXWYJRUDL-SNVBAGLBSA-N -1 0 309.196 1.532 50 5 DDBARM COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1O ZINC000004725718 181143192 /nfs/dbraw/zinc/14/31/92/181143192.db2.gz SYBADKLGVUVOEI-DUXPYHPUSA-N -1 0 305.246 1.268 50 5 DDBARM O=C(NCCOCC(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159972101 197377105 /nfs/dbraw/zinc/37/71/05/197377105.db2.gz VLCYHPOXXODMBS-UHFFFAOYSA-N -1 0 308.212 1.609 50 5 DDBARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000323742 304180598 /nfs/dbraw/zinc/18/05/98/304180598.db2.gz XIEJNYFIRWWUEH-LLVKDONJSA-N -1 0 314.319 1.223 50 5 DDBARM O=C([O-])CCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001811406 406676883 /nfs/dbraw/zinc/67/68/83/406676883.db2.gz OLZMEKXMURAPSJ-UHFFFAOYSA-N -1 0 316.335 1.518 50 5 DDBARM C[C@H]1Cc2cc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])ccc2O1 ZINC000004977984 406729895 /nfs/dbraw/zinc/72/98/95/406729895.db2.gz WTHARTCCCKAVQE-KHVHVRLGSA-N -1 0 315.285 1.878 50 5 DDBARM CC(C)c1noc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000071890861 406862853 /nfs/dbraw/zinc/86/28/53/406862853.db2.gz ZEMILXGNIPINLI-UHFFFAOYSA-N -1 0 320.305 1.779 50 5 DDBARM CCC1(CO)CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000119427048 408066063 /nfs/dbraw/zinc/06/60/63/408066063.db2.gz RCHZRLSDCHJNDA-UHFFFAOYSA-N -1 0 308.334 1.925 50 5 DDBARM C[C@H](CN(C)C(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000095425217 298483720 /nfs/dbraw/zinc/48/37/20/298483720.db2.gz PYRXJFKCQHHIKA-SNVBAGLBSA-N -1 0 309.322 1.576 50 5 DDBARM O=C([O-])C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000002552640 180934643 /nfs/dbraw/zinc/93/46/43/180934643.db2.gz VWMFUYJYNRGYLX-UHFFFAOYSA-N -1 0 314.319 1.080 50 5 DDBARM O=C([O-])CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000013210782 304069413 /nfs/dbraw/zinc/06/94/13/304069413.db2.gz JWDHOGOFSKVYJC-UHFFFAOYSA-N -1 0 307.306 1.400 50 5 DDBARM Cc1cnccc1CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000097235751 407289764 /nfs/dbraw/zinc/28/97/64/407289764.db2.gz NLGOBUFIHPXRRT-UHFFFAOYSA-N -1 0 301.302 1.976 50 5 DDBARM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1nc(=O)[n-][nH]1 ZINC000170088541 408820144 /nfs/dbraw/zinc/82/01/44/408820144.db2.gz XHQKWJGEBBHJRZ-SECBINFHSA-N -1 0 319.321 1.422 50 5 DDBARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000335493 180760594 /nfs/dbraw/zinc/76/05/94/180760594.db2.gz PIUVGHRDIVTALT-UHFFFAOYSA-N -1 0 321.314 1.495 50 5 DDBARM COC(=O)[C@@]1(C(=O)[O-])Cc2cc([N+](=O)[O-])ccc2N2CCC[C@@H]21 ZINC000006671693 291662284 /nfs/dbraw/zinc/66/22/84/291662284.db2.gz VVDMOGJPPTWGSX-DOMZBBRYSA-N -1 0 320.301 1.364 50 5 DDBARM O=C([N-]c1nnc(C2=COCCO2)o1)c1ccc([N+](=O)[O-])s1 ZINC000011634805 406829256 /nfs/dbraw/zinc/82/92/56/406829256.db2.gz RBQJOQGIUQMPNT-UHFFFAOYSA-N -1 0 324.274 1.637 50 5 DDBARM Cn1ccc([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000028779271 406919258 /nfs/dbraw/zinc/91/92/58/406919258.db2.gz BPFLQHFCYDJLFT-UHFFFAOYSA-N -1 0 300.271 1.268 50 5 DDBARM O=C([O-])Cn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1 ZINC000020530667 331587758 /nfs/dbraw/zinc/58/77/58/331587758.db2.gz XBUBOTFSXSURFT-UHFFFAOYSA-N -1 0 313.273 1.729 50 5 DDBARM Cc1cnccc1CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097097828 337382119 /nfs/dbraw/zinc/38/21/19/337382119.db2.gz CBWHLTGYPSNNSW-UHFFFAOYSA-N -1 0 301.302 1.976 50 5 DDBARM O=C([O-])c1nnsc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008750797 406795550 /nfs/dbraw/zinc/79/55/50/406795550.db2.gz YBCPWCRJSILJTK-UHFFFAOYSA-N -1 0 309.263 1.789 50 5 DDBARM Cc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)cc1[N+](=O)[O-] ZINC000095424857 185361486 /nfs/dbraw/zinc/36/14/86/185361486.db2.gz PPSFWDPARBQPBW-UHFFFAOYSA-N -1 0 322.317 1.657 50 5 DDBARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000003864745 181050748 /nfs/dbraw/zinc/05/07/48/181050748.db2.gz AVATZSJXFSPYLU-SECBINFHSA-N -1 0 314.319 1.080 50 5 DDBARM CCCN1C(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)NC1=S ZINC000000202782 406630679 /nfs/dbraw/zinc/63/06/79/406630679.db2.gz IGUFQQSYVBYOES-TWGQIWQCSA-N -1 0 307.331 1.768 50 5 DDBARM CC(=O)Nc1nc(C=Cc2ccccc2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000006186224 406734834 /nfs/dbraw/zinc/73/48/34/406734834.db2.gz QLBNKEUTVROJEK-BQYQJAHWSA-N -1 0 300.274 1.807 50 5 DDBARM Cc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002483697 406687074 /nfs/dbraw/zinc/68/70/74/406687074.db2.gz YPQGBSGODJLBKC-UHFFFAOYSA-N -1 0 300.321 1.556 50 5 DDBARM CCOC(=O)c1csc([N-]c2ncnc(N)c2[N+](=O)[O-])n1 ZINC000096346862 407258810 /nfs/dbraw/zinc/25/88/10/407258810.db2.gz IOLQPEAVIWECQO-UHFFFAOYSA-N -1 0 310.295 1.344 50 5 DDBARM Cn1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000095978077 407220602 /nfs/dbraw/zinc/22/06/02/407220602.db2.gz GBAKQHBOIWJUSU-UHFFFAOYSA-N -1 0 300.271 1.268 50 5 DDBARM CSC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000271260748 407603273 /nfs/dbraw/zinc/60/32/73/407603273.db2.gz JMGGLCYHDKRKFC-GFCCVEGCSA-N -1 0 300.336 1.144 50 5 DDBARM Cc1c2c(cc(=O)n1C)[n-]n(-c1ccc([N+](=O)[O-])cc1)c2=O ZINC000012322991 301014978 /nfs/dbraw/zinc/01/49/78/301014978.db2.gz ABXHPXVETLKFRT-UHFFFAOYSA-N -1 0 300.274 1.234 50 5 DDBARM COc1ccc([N+](=O)[O-])cc1NC(=O)c1nccnc1C(=O)[O-] ZINC000020320307 182206474 /nfs/dbraw/zinc/20/64/74/182206474.db2.gz OOIHSDXJGHIUQU-UHFFFAOYSA-N -1 0 318.245 1.344 50 5 DDBARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000002552634 406691165 /nfs/dbraw/zinc/69/11/65/406691165.db2.gz MJEHEGPWQFISSE-VIFPVBQESA-N -1 0 314.319 1.080 50 5 DDBARM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)cc1 ZINC000170600129 407448387 /nfs/dbraw/zinc/44/83/87/407448387.db2.gz XTPQAPRPBZBFBO-UHFFFAOYSA-N -1 0 308.319 1.538 50 5 DDBARM CC(C)(C)[S@](=O)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000079028368 185147266 /nfs/dbraw/zinc/14/72/66/185147266.db2.gz VBCJZLHUFUBHCC-NRFANRHFSA-N -1 0 314.363 1.577 50 5 DDBARM NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000289245 406637722 /nfs/dbraw/zinc/63/77/22/406637722.db2.gz PQNDLWXQARXOJR-UHFFFAOYSA-N -1 0 321.314 1.495 50 5 DDBARM CO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000069457029 406717155 /nfs/dbraw/zinc/71/71/55/406717155.db2.gz HCPWFHAQDQMFNR-GFCCVEGCSA-N -1 0 307.306 1.185 50 5 DDBARM COc1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000225573766 407598178 /nfs/dbraw/zinc/59/81/78/407598178.db2.gz VPVLAASYDVYQOM-VIFPVBQESA-N -1 0 309.278 1.684 50 5 DDBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000119274042 418501942 /nfs/dbraw/zinc/50/19/42/418501942.db2.gz NQJHRROJZZGTAJ-FZMZJTMJSA-N -1 0 306.318 1.942 50 5 DDBARM Cc1ccc2[nH]c3nc4nnc(SCC(=O)[O-])n4nc3c2c1 ZINC000004302453 181094137 /nfs/dbraw/zinc/09/41/37/181094137.db2.gz LZPGBHZUBCMDJU-UHFFFAOYSA-N -1 0 314.330 1.639 50 5 DDBARM Cc1nnc(NC(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])s1 ZINC000002911852 406708471 /nfs/dbraw/zinc/70/84/71/406708471.db2.gz LTFNCRIKYOANON-UHFFFAOYSA-N -1 0 308.275 1.705 50 5 DDBARM CCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000004714218 181140797 /nfs/dbraw/zinc/14/07/97/181140797.db2.gz CPTPPMRMJYKAFK-VMPITWQZSA-N -1 0 303.274 1.953 50 5 DDBARM O=C([O-])[C@@H]1CC(=O)N(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000585122777 354810587 /nfs/dbraw/zinc/81/05/87/354810587.db2.gz FPSYJTNBAAYHJT-ZCFIWIBFSA-N -1 0 307.287 1.642 50 5 DDBARM Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000005533824 181254556 /nfs/dbraw/zinc/25/45/56/181254556.db2.gz KFXOEUAFASUKDH-UHFFFAOYSA-N -1 0 309.303 1.683 50 5 DDBARM COc1ccc(/C=C/C(=O)[O-])cc1Cn1ccc([N+](=O)[O-])n1 ZINC000012355467 406843119 /nfs/dbraw/zinc/84/31/19/406843119.db2.gz OTXDSZMWPYUTLD-HWKANZROSA-N -1 0 303.274 1.946 50 5 DDBARM C[C@H](COCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000067593644 407277179 /nfs/dbraw/zinc/27/71/79/407277179.db2.gz GDFFJRDTUPGTIT-SSDOTTSWSA-N -1 0 322.239 1.998 50 5 DDBARM Cc1cc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[nH]n1 ZINC000097109264 407281503 /nfs/dbraw/zinc/28/15/03/407281503.db2.gz POXAKIMUQQDEMD-QMMMGPOBSA-N -1 0 304.306 1.693 50 5 DDBARM CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]2CCO[C@H]21 ZINC000230191679 407681131 /nfs/dbraw/zinc/68/11/31/407681131.db2.gz QVLSDOGXQOMYET-ZWKOPEQDSA-N -1 0 306.318 1.844 50 5 DDBARM CCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274797692 408535796 /nfs/dbraw/zinc/53/57/96/408535796.db2.gz RTZVZXKSJYAQJJ-LLVKDONJSA-N -1 0 308.290 1.468 50 5 DDBARM O=C([O-])c1ccc(NC(=O)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000002809133 406702418 /nfs/dbraw/zinc/70/24/18/406702418.db2.gz BRBXNVVKQUAQKA-UHFFFAOYSA-N -1 0 304.262 1.518 50 5 DDBARM COC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-] ZINC000063110829 184271297 /nfs/dbraw/zinc/27/12/97/184271297.db2.gz NPNZWNCDQBAUAE-QOSJWCAFSA-N -1 0 306.274 1.291 50 5 DDBARM Cc1cc(F)c(S(=O)(=O)[N-]c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000071914689 406866853 /nfs/dbraw/zinc/86/68/53/406866853.db2.gz FPYGCJMKCNMECZ-UHFFFAOYSA-N -1 0 314.298 1.577 50 5 DDBARM CCc1nn(C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000283082945 409084504 /nfs/dbraw/zinc/08/45/04/409084504.db2.gz UVEHSJVGZVOHNI-UHFFFAOYSA-N -1 0 310.335 1.692 50 5 DDBARM CCCN1C(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)NC1=S ZINC000103791272 418496262 /nfs/dbraw/zinc/49/62/62/418496262.db2.gz IGUFQQSYVBYOES-RMKNXTFCSA-N -1 0 307.331 1.768 50 5 DDBARM O=C([O-])c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1 ZINC000003913740 181058124 /nfs/dbraw/zinc/05/81/24/181058124.db2.gz MZRKGZIQWVBQMS-UHFFFAOYSA-N -1 0 307.306 1.717 50 5 DDBARM Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000390834309 354642863 /nfs/dbraw/zinc/64/28/63/354642863.db2.gz WCCUJMQNAYKGAI-UHFFFAOYSA-N -1 0 309.303 1.805 50 5 DDBARM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(n2cccn2)CC1 ZINC000089768213 192861610 /nfs/dbraw/zinc/86/16/10/192861610.db2.gz FTKRXRDUQUIALV-UHFFFAOYSA-N -1 0 316.317 1.974 50 5 DDBARM COC(=O)[C@@]1(C(=O)[O-])Cc2cc([N+](=O)[O-])ccc2N2CCC[C@H]21 ZINC000229798536 291662342 /nfs/dbraw/zinc/66/23/42/291662342.db2.gz VVDMOGJPPTWGSX-WFASDCNBSA-N -1 0 320.301 1.364 50 5 DDBARM O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000157085921 197160612 /nfs/dbraw/zinc/16/06/12/197160612.db2.gz KIWOBGGOKURTFZ-QMTHXVAHSA-N -1 0 306.318 1.988 50 5 DDBARM C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H](C(=O)[O-])O1 ZINC000222174392 697756534 /nfs/dbraw/zinc/75/65/34/697756534.db2.gz LJXOKNBGSIVUCQ-WGOFPRFOSA-N -1 0 320.301 1.309 50 5 DDBARM CCOC(=O)C=C([O-])c1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000034155815 352292196 /nfs/dbraw/zinc/29/21/96/352292196.db2.gz JOKHOBMXERIGRS-UHFFFAOYSA-N -1 0 300.198 1.778 50 5 DDBARM CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]2CCO[C@@H]21 ZINC000157189287 197168501 /nfs/dbraw/zinc/16/85/01/197168501.db2.gz QVLSDOGXQOMYET-WQAKAFBOSA-N -1 0 306.318 1.844 50 5 DDBARM Cc1cc(S(=O)(=O)[N-]c2nncs2)ccc1[N+](=O)[O-] ZINC000084101522 407083968 /nfs/dbraw/zinc/08/39/68/407083968.db2.gz XRCLIWWDTWDFPI-UHFFFAOYSA-N -1 0 300.321 1.556 50 5 DDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc3c(c2)OCO3)[nH]1 ZINC000004538731 181121214 /nfs/dbraw/zinc/12/12/14/181121214.db2.gz DDMIGSXWDRQILX-HNQUOIGGSA-N -1 0 303.230 1.283 50 5 DDBARM O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000157189490 197169219 /nfs/dbraw/zinc/16/92/19/197169219.db2.gz CQADNTWGSVTSJQ-BXUZGUMPSA-N -1 0 306.318 1.988 50 5 DDBARM Cc1nn(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1[N+](=O)[O-] ZINC000002766000 406699733 /nfs/dbraw/zinc/69/97/33/406699733.db2.gz JBVAWCLRFJKULO-UHFFFAOYSA-N -1 0 318.289 1.896 50 5 DDBARM COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(OC)c1 ZINC000015009232 406878435 /nfs/dbraw/zinc/87/84/35/406878435.db2.gz BUHZKFPYEQGOQS-ONEGZZNKSA-N -1 0 319.273 1.571 50 5 DDBARM C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C(=O)[O-])O1 ZINC000095991967 407221788 /nfs/dbraw/zinc/22/17/88/407221788.db2.gz LJXOKNBGSIVUCQ-GHHAPQSHSA-N -1 0 320.301 1.309 50 5 DDBARM COc1cc(C(=O)NCC(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000262647698 539275790 /nfs/dbraw/zinc/27/57/90/539275790.db2.gz REJBYCGLONOEPL-UHFFFAOYSA-N -1 0 320.204 1.019 50 5 DDBARM O=C([O-])C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000003864743 181050512 /nfs/dbraw/zinc/05/05/12/181050512.db2.gz LEZIFGBWZUCLNI-UHFFFAOYSA-N -1 0 314.319 1.080 50 5 DDBARM CCN(CC)c1nc(=O)[n-]c(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000006160156 181317367 /nfs/dbraw/zinc/31/73/67/181317367.db2.gz QJLDCUKKKQIKPO-UHFFFAOYSA-N -1 0 304.310 1.663 50 5 DDBARM O=C1[N-]C(=O)C2(COC(c3ccc([N+](=O)[O-])cc3)OC2)S1 ZINC000004428041 284860124 /nfs/dbraw/zinc/86/01/24/284860124.db2.gz ASFSTNQRKVYNKB-UHFFFAOYSA-N -1 0 310.287 1.362 50 5 DDBARM CN(CCC(=O)[O-])C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000095425284 185361559 /nfs/dbraw/zinc/36/15/59/185361559.db2.gz PAWDVUXPXQHPMW-UHFFFAOYSA-N -1 0 321.333 1.742 50 5 DDBARM CSCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000021518294 182277801 /nfs/dbraw/zinc/27/78/01/182277801.db2.gz HCJQNAZTZLMJTA-LLVKDONJSA-N -1 0 312.347 1.460 50 5 DDBARM O=C([O-])CCNc1ccc(C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000045796125 257269981 /nfs/dbraw/zinc/26/99/81/257269981.db2.gz JHIHNBHPEMHHBZ-UHFFFAOYSA-N -1 0 307.306 1.717 50 5 DDBARM CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1 ZINC000035168737 406968446 /nfs/dbraw/zinc/96/84/46/406968446.db2.gz JCMCKDMBSHKVHO-GFCCVEGCSA-N -1 0 321.289 1.491 50 5 DDBARM Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000097373303 302321913 /nfs/dbraw/zinc/32/19/13/302321913.db2.gz ROMCRIMDBFXCPL-JTQLQIEISA-N -1 0 316.317 1.550 50 5 DDBARM CC1(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000888101227 709213619 /nfs/dbraw/zinc/21/36/19/709213619.db2.gz VNVONVLFIGFCGE-UHFFFAOYSA-N -1 0 316.310 1.729 50 5 DDBARM O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000157189344 197169146 /nfs/dbraw/zinc/16/91/46/197169146.db2.gz CQADNTWGSVTSJQ-FZMZJTMJSA-N -1 0 306.318 1.988 50 5 DDBARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)cc([N+](=O)[O-])c1OC ZINC000000070074 406617367 /nfs/dbraw/zinc/61/73/67/406617367.db2.gz PKVVJOTVEOPTFQ-CPCISQLKSA-N -1 0 314.319 1.400 50 5 DDBARM O=C([N-]N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccco1 ZINC000000260974 406637386 /nfs/dbraw/zinc/63/73/86/406637386.db2.gz GDXMHZAXHLHXSX-UHFFFAOYSA-N -1 0 301.214 1.129 50 5 DDBARM CC(C)Oc1ccccc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000012401657 406843448 /nfs/dbraw/zinc/84/34/48/406843448.db2.gz SFUMQATXHJYLLQ-BQYQJAHWSA-N -1 0 317.301 1.929 50 5 DDBARM CN(C)c1ncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000194651472 337383536 /nfs/dbraw/zinc/38/35/36/337383536.db2.gz BDLGMFRAKBLDFS-UHFFFAOYSA-N -1 0 323.334 1.252 50 5 DDBARM Cc1c(CCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cnn1C ZINC000097101053 407280388 /nfs/dbraw/zinc/28/03/88/407280388.db2.gz NGTKLNDNOQOZTH-UHFFFAOYSA-N -1 0 304.306 1.914 50 5 DDBARM Cc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000097161674 407283909 /nfs/dbraw/zinc/28/39/09/407283909.db2.gz KWBXHNQVKZQPRN-UHFFFAOYSA-N -1 0 317.348 1.740 50 5 DDBARM O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1[O-] ZINC000163390795 408775914 /nfs/dbraw/zinc/77/59/14/408775914.db2.gz OFZOSGKWAWJJJI-XWIASGKRSA-N -1 0 306.318 1.988 50 5 DDBARM CCOc1cc([N-]S(=O)(=O)C[C@H](C)OC)ccc1[N+](=O)[O-] ZINC000585129193 771962909 /nfs/dbraw/zinc/96/29/09/771962909.db2.gz AXLXMDBYEWONHM-VIFPVBQESA-N -1 0 318.351 1.770 50 5 DDBARM O=[N+]([O-])c1cccc(C([O-])=Cc2nnn(-c3ccccc3)n2)c1 ZINC000005049819 181197161 /nfs/dbraw/zinc/19/71/61/181197161.db2.gz RDRZIXBWSLJXOG-UHFFFAOYSA-N -1 0 309.285 1.996 50 5 DDBARM CCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000033391539 406960897 /nfs/dbraw/zinc/96/08/97/406960897.db2.gz CPTPPMRMJYKAFK-YVMONPNESA-N -1 0 303.274 1.953 50 5 DDBARM Cc1c2c(cc(=O)n1C)[n-]n(-c1ccc([N+](=O)[O-])cc1)c2=O ZINC000101514360 301014990 /nfs/dbraw/zinc/01/49/90/301014990.db2.gz JWQACWIVQSCTHI-UHFFFAOYSA-N -1 0 300.274 1.598 50 5 DDBARM CCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nnn[n-]1 ZINC000089949593 185270975 /nfs/dbraw/zinc/27/09/75/185270975.db2.gz LCUIRFSOFFDINM-LLVKDONJSA-N -1 0 304.310 1.308 50 5 DDBARM COC(=O)c1ccccc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000004413841 181107879 /nfs/dbraw/zinc/10/78/79/181107879.db2.gz KREZSTWBWDRWCT-VOTSOKGWSA-N -1 0 317.257 1.341 50 5 DDBARM COc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000012557165 406848420 /nfs/dbraw/zinc/84/84/20/406848420.db2.gz RQWJHDHEATYHOA-UHFFFAOYSA-N -1 0 312.307 1.138 50 5 DDBARM CC(C)[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000033454515 406962163 /nfs/dbraw/zinc/96/21/63/406962163.db2.gz CXCXPIMAEKWVQF-CYBMUJFWSA-N -1 0 310.306 1.589 50 5 DDBARM COCCn1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000095350462 407207818 /nfs/dbraw/zinc/20/78/18/407207818.db2.gz FXVFXNQGAKKBNA-UHFFFAOYSA-N -1 0 306.278 1.396 50 5 DDBARM COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(OC)c1 ZINC000030840460 406934577 /nfs/dbraw/zinc/93/45/77/406934577.db2.gz BUHZKFPYEQGOQS-ARJAWSKDSA-N -1 0 319.273 1.159 50 5 DDBARM Cc1cc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[nH]n1 ZINC000097109263 407281302 /nfs/dbraw/zinc/28/13/02/407281302.db2.gz POXAKIMUQQDEMD-MRVPVSSYSA-N -1 0 304.306 1.693 50 5 DDBARM O=C([O-])c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 ZINC000000039408 406616478 /nfs/dbraw/zinc/61/64/78/406616478.db2.gz RLWQKLOXFLKEPV-UHFFFAOYSA-N -1 0 316.067 1.893 50 5 DDBARM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)N1CCCCC1 ZINC000071888532 406862523 /nfs/dbraw/zinc/86/25/23/406862523.db2.gz RIDXFZIDKWXFRL-JTQLQIEISA-N -1 0 321.333 1.431 50 5 DDBARM COc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000095970514 407218889 /nfs/dbraw/zinc/21/88/89/407218889.db2.gz IIJKKNOOZKDFMC-UHFFFAOYSA-N -1 0 322.317 1.977 50 5 DDBARM Cn1cc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)cn1 ZINC000195567449 407466777 /nfs/dbraw/zinc/46/67/77/407466777.db2.gz XPCLDYPRNLNQIU-SNVBAGLBSA-N -1 0 316.317 1.664 50 5 DDBARM Cc1cccc(Nc2nc(NCC(=O)[O-])nc(N)c2[N+](=O)[O-])c1 ZINC000004305921 181095200 /nfs/dbraw/zinc/09/52/00/181095200.db2.gz XVTVGTXRERCWOU-UHFFFAOYSA-N -1 0 318.293 1.516 50 5 DDBARM C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCCCCC(=O)[O-] ZINC000065748732 184378367 /nfs/dbraw/zinc/37/83/67/184378367.db2.gz YVWVEIPYMGBQPE-GFCCVEGCSA-O -1 0 318.390 1.504 50 5 in-vitro DDBARM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1 ZINC000035168739 406968963 /nfs/dbraw/zinc/96/89/63/406968963.db2.gz JCMCKDMBSHKVHO-LBPRGKRZSA-N -1 0 321.289 1.491 50 5 DDBARM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H](n2cccn2)C1 ZINC000097109058 407280962 /nfs/dbraw/zinc/28/09/62/407280962.db2.gz TWGTZBXKJUPBFD-LBPRGKRZSA-N -1 0 316.317 1.974 50 5 DDBARM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nc1 ZINC000069674840 418488584 /nfs/dbraw/zinc/48/85/84/418488584.db2.gz KFZPLVVEWBJUEU-UHFFFAOYSA-N -1 0 311.294 2.238 50 5 DDBARM COc1cc2c(CCNC(C)=O)c(C(=O)[O-])[nH]c2c([N+](=O)[O-])c1 ZINC000000077364 180685826 /nfs/dbraw/zinc/68/58/26/180685826.db2.gz RALJLIILLIROHI-UHFFFAOYSA-N -1 0 321.289 1.462 50 5 biogenic DDBARM O=C([O-])CCCn1cc(NC(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000004693764 181137705 /nfs/dbraw/zinc/13/77/05/181137705.db2.gz VODOBAFOMBBGLJ-UHFFFAOYSA-N -1 0 318.289 1.908 50 5 DDBARM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000037326171 406987351 /nfs/dbraw/zinc/98/73/51/406987351.db2.gz ZVQXPQCZFKAEDG-NXEZZACHSA-N -1 0 314.363 1.967 50 5 DDBARM C[C@@H]1Cc2cc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])ccc2O1 ZINC000004977983 181183016 /nfs/dbraw/zinc/18/30/16/181183016.db2.gz WTHARTCCCKAVQE-BYDTYLDUSA-N -1 0 315.285 1.878 50 5 DDBARM COc1c(OC)c([N+](=O)[O-])c(C(=O)[O-])c([N+](=O)[O-])c1OC ZINC000071769548 294906928 /nfs/dbraw/zinc/90/69/28/294906928.db2.gz SSWIQWURDPOCGO-UHFFFAOYSA-N -1 0 302.195 1.227 50 5 DDBARM COC(=O)c1cc([N+](=O)[O-])cc(I)c1[O-] ZINC000950733953 720757852 /nfs/dbraw/zinc/75/78/52/720757852.db2.gz TYXZFXVSRQYVPR-UHFFFAOYSA-N -1 0 323.042 1.692 50 5 DDBARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000037337 304106598 /nfs/dbraw/zinc/10/65/98/304106598.db2.gz HBPKKCWUSYDGFM-JTQLQIEISA-N -1 0 314.319 1.223 50 5 DDBARM Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000124274480 292281977 /nfs/dbraw/zinc/28/19/77/292281977.db2.gz IAPRMGSUVLQFLS-SECBINFHSA-N -1 0 304.310 1.292 50 5 DDBARM Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000002030191 293857010 /nfs/dbraw/zinc/85/70/10/293857010.db2.gz DMICXPOKQAPOFK-UHFFFAOYSA-N -1 0 309.263 1.915 50 5 DDBARM CCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000072081575 191035158 /nfs/dbraw/zinc/03/51/58/191035158.db2.gz LGNOACGEFPPWHO-CYBMUJFWSA-N -1 0 321.333 1.576 50 5 DDBARM O=[N+]([O-])[C@]1(c2cccc3ncccc32)N=CN2NC=NC([O-])=C21 ZINC000075286944 353357916 /nfs/dbraw/zinc/35/79/16/353357916.db2.gz MVRDQPIDFAACTC-AWEZNQCLSA-N -1 0 310.273 1.282 50 5 DDBARM C[C@H](c1cnn(C)c1)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097374978 353919648 /nfs/dbraw/zinc/91/96/48/353919648.db2.gz OBCVNCNOVYHXPM-SECBINFHSA-N -1 0 304.306 1.867 50 5 DDBARM O=c1[n-]c2c(=O)oc3ccccc3c2n(Cc2ccccc2)c1=O ZINC000019816042 285196922 /nfs/dbraw/zinc/19/69/22/285196922.db2.gz UXLRXASYOGJXHY-UHFFFAOYSA-N -1 0 320.304 1.845 50 5 DDBARM CO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000069457032 406717836 /nfs/dbraw/zinc/71/78/36/406717836.db2.gz HCPWFHAQDQMFNR-LBPRGKRZSA-N -1 0 307.306 1.185 50 5 DDBARM CC1(C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]2CCO[C@H]21 ZINC000230181592 407682059 /nfs/dbraw/zinc/68/20/59/407682059.db2.gz QDUMGXPHOAWVIU-OASPWFOLSA-N -1 0 306.318 1.844 50 5 DDBARM Cc1csc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000065567597 418486329 /nfs/dbraw/zinc/48/63/29/418486329.db2.gz NLOJVDMPXZHPCO-UHFFFAOYSA-N -1 0 313.360 2.469 50 5 DDBARM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]1C(=O)[O-] ZINC000015443691 295555057 /nfs/dbraw/zinc/55/50/57/295555057.db2.gz CRSNXNMNACHFNO-JTQLQIEISA-N -1 0 314.319 1.052 50 5 DDBARM CS(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000015443694 295556956 /nfs/dbraw/zinc/55/69/56/295556956.db2.gz CVQBYXIPWRZGJO-JTQLQIEISA-N -1 0 314.319 1.052 50 5 DDBARM O=C(NCc1ccn2ccnc2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000178095253 337383604 /nfs/dbraw/zinc/38/36/04/337383604.db2.gz PEYLRSGMNHGDQX-UHFFFAOYSA-N -1 0 312.285 1.878 50 5 DDBARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000037339 304180873 /nfs/dbraw/zinc/18/08/73/304180873.db2.gz HBPKKCWUSYDGFM-SNVBAGLBSA-N -1 0 314.319 1.223 50 5 DDBARM O=c1nc2n(CCc3ccccc3)c3ccccc3nc-2c(=O)[n-]1 ZINC000008782706 406797048 /nfs/dbraw/zinc/79/70/48/406797048.db2.gz KGIJKMUPWGAMNT-UHFFFAOYSA-N -1 0 318.336 1.827 50 5 DDBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC2(C1)CCOCC2 ZINC000075541742 406935188 /nfs/dbraw/zinc/93/51/88/406935188.db2.gz LSQHQADBTNCOJB-UHFFFAOYSA-N -1 0 306.318 1.943 50 5 DDBARM O=C([O-])C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000004428049 181109346 /nfs/dbraw/zinc/10/93/46/181109346.db2.gz JBNMJWTUJUPUNW-NWDGAFQWSA-N -1 0 308.290 1.803 50 5 DDBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(n2ccnc2)CC1 ZINC000069520585 184522413 /nfs/dbraw/zinc/52/24/13/184522413.db2.gz VBSFVVISUNAZLX-UHFFFAOYSA-N -1 0 316.317 1.974 50 5 DDBARM Cc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000097163823 407284387 /nfs/dbraw/zinc/28/43/87/407284387.db2.gz YSQABGCHJXCOKT-UHFFFAOYSA-N -1 0 301.302 1.976 50 5 DDBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N(C[C@H]1CCOC1)C1CC1 ZINC000164379840 186157884 /nfs/dbraw/zinc/15/78/84/186157884.db2.gz JJKVKJPNLZLXOS-SNVBAGLBSA-N -1 0 306.318 1.942 50 5 DDBARM COC(=O)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000005005149 181189077 /nfs/dbraw/zinc/18/90/77/181189077.db2.gz IDRKHLKLEZUUIY-QPJJXVBHSA-N -1 0 317.257 1.341 50 5 DDBARM Cc1c(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])cnn1C ZINC000089544727 192814164 /nfs/dbraw/zinc/81/41/64/192814164.db2.gz LTIXSLGPMCCBIC-UHFFFAOYSA-N -1 0 304.306 1.315 50 5 DDBARM CC(C)(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000065415696 184340654 /nfs/dbraw/zinc/34/06/54/184340654.db2.gz PUIAKPOSVKXXNC-UHFFFAOYSA-N -1 0 318.289 1.374 50 5 DDBARM O=c1[n-]c(-n2cnc([N+](=O)[O-])n2)nc2c1cnn2-c1ccccc1 ZINC000078990234 353544891 /nfs/dbraw/zinc/54/48/91/353544891.db2.gz PGVRJGBTESNVQW-UHFFFAOYSA-N -1 0 324.260 1.010 50 5 DDBARM O=[N+]([O-])c1cnc([N-]c2ccc(Cl)c[n+]2[O-])c([N+](=O)[O-])c1 ZINC000004981640 181183503 /nfs/dbraw/zinc/18/35/03/181183503.db2.gz JJGYYPDSENYCIR-UHFFFAOYSA-N -1 0 311.641 1.928 50 5 DDBARM COc1ccc(/C=C/C(=O)[O-])cc1Cn1nccc1[N+](=O)[O-] ZINC000015108208 181989359 /nfs/dbraw/zinc/98/93/59/181989359.db2.gz VKUAGSPLRMDWHE-HWKANZROSA-N -1 0 303.274 1.946 50 5 DDBARM CN(C)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000078556720 407034338 /nfs/dbraw/zinc/03/43/38/407034338.db2.gz GVWSKDRLEULTHI-UHFFFAOYSA-N -1 0 322.346 1.857 50 5 DDBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1nnn[n-]1 ZINC000952884027 775644585 /nfs/dbraw/zinc/64/45/85/775644585.db2.gz RPWYIPINMQBBHK-NSHDSACASA-N -1 0 317.309 1.785 50 5 DDBARM CC[C@](C)(NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC000095424540 185361511 /nfs/dbraw/zinc/36/15/11/185361511.db2.gz BKQMCQVPTWYAEL-ZDUSSCGKSA-N -1 0 312.326 1.168 50 5 DDBARM O=C([O-])CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003886281 181053123 /nfs/dbraw/zinc/05/31/23/181053123.db2.gz GGGMKFRZMMBWDB-UHFFFAOYSA-N -1 0 308.699 1.001 50 5 DDBARM C[C@@H](CN(C)C(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000095425216 295876582 /nfs/dbraw/zinc/87/65/82/295876582.db2.gz PYRXJFKCQHHIKA-JTQLQIEISA-N -1 0 309.322 1.576 50 5 DDBARM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000005604147 181263137 /nfs/dbraw/zinc/26/31/37/181263137.db2.gz OQEUNFWYPVZJNK-UHFFFAOYSA-N -1 0 306.299 1.714 50 5 DDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O)c(Cl)c2)[nH]1 ZINC000015009217 406878462 /nfs/dbraw/zinc/87/84/62/406878462.db2.gz ZUUNMDBGCNUXNB-HNQUOIGGSA-N -1 0 309.665 1.913 50 5 DDBARM O=C([O-])C1CCN(c2ccc3nsnc3c2[N+](=O)[O-])CC1 ZINC000006758004 304041917 /nfs/dbraw/zinc/04/19/17/304041917.db2.gz HOKVKCXIWDHGLI-UHFFFAOYSA-N -1 0 308.319 1.901 50 5 DDBARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000020615087 182239255 /nfs/dbraw/zinc/23/92/55/182239255.db2.gz QYNPPEICLFDOJO-UHFFFAOYSA-N -1 0 308.225 1.418 50 5 DDBARM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C)cn1 ZINC000069675155 418488299 /nfs/dbraw/zinc/48/82/99/418488299.db2.gz FCWTUSWGAYIXOF-UHFFFAOYSA-N -1 0 323.330 2.108 50 5 DDBARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000002169893 301265338 /nfs/dbraw/zinc/26/53/38/301265338.db2.gz YIIHPIGMCBQDRD-UHFFFAOYSA-N -1 0 308.319 1.802 50 5 DDBARM O=C([O-])CCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001782100 406678026 /nfs/dbraw/zinc/67/80/26/406678026.db2.gz BGTHORKPEAMAIZ-UHFFFAOYSA-N -1 0 316.335 1.518 50 5 DDBARM COc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1OC ZINC000015009226 406878451 /nfs/dbraw/zinc/87/84/51/406878451.db2.gz RCOFVFNWIANBAA-VOTSOKGWSA-N -1 0 319.273 1.571 50 5 DDBARM CCOC(=O)C1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000225501451 407591510 /nfs/dbraw/zinc/59/15/10/407591510.db2.gz ULGOTJFONOIEFN-UHFFFAOYSA-N -1 0 322.317 1.716 50 5 DDBARM Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000100101329 301436142 /nfs/dbraw/zinc/43/61/42/301436142.db2.gz QENRPSZYWHCPPE-SDQBBNPISA-N -1 0 314.253 1.966 50 5 DDBARM O=C(Nc1cccc([N+](=O)[O-])c1)C([O-])=CC(O)=C1CCCC1=O ZINC000106029082 353938449 /nfs/dbraw/zinc/93/84/49/353938449.db2.gz WTYSXZBNUUPPEU-LLVKDONJSA-N -1 0 318.285 1.431 50 5 DDBARM CCc1cccc(OCCn2cc([N+](=O)[O-])c(=O)[n-]c2=O)c1 ZINC000072292150 406879577 /nfs/dbraw/zinc/87/95/77/406879577.db2.gz RCXLOLFCCMZSFH-UHFFFAOYSA-N -1 0 305.290 1.086 50 5 DDBARM O=C(c1cccc([N+](=O)[O-])c1[O-])N(C[C@H]1CCOC1)C1CC1 ZINC000132117995 196227288 /nfs/dbraw/zinc/22/72/88/196227288.db2.gz MCSWGVPHWRGUTH-SNVBAGLBSA-N -1 0 306.318 1.942 50 5 DDBARM COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1O ZINC000015009220 406878628 /nfs/dbraw/zinc/87/86/28/406878628.db2.gz BVRWVEJDMLJZMR-DUXPYHPUSA-N -1 0 305.246 1.268 50 5 DDBARM CC1(C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H]2CCO[C@H]21 ZINC000230181576 407682404 /nfs/dbraw/zinc/68/24/04/407682404.db2.gz QDUMGXPHOAWVIU-ZWKOPEQDSA-N -1 0 306.318 1.844 50 5 DDBARM CCC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nnn[n-]1 ZINC000089949591 185271193 /nfs/dbraw/zinc/27/11/93/185271193.db2.gz LCUIRFSOFFDINM-NSHDSACASA-N -1 0 304.310 1.308 50 5 DDBARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000002454793 180924296 /nfs/dbraw/zinc/92/42/96/180924296.db2.gz AGYCESFEZUQKOV-JTQLQIEISA-N -1 0 306.274 1.690 50 5 DDBARM CSCC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000009305046 181612539 /nfs/dbraw/zinc/61/25/39/181612539.db2.gz HCJQNAZTZLMJTA-NSHDSACASA-N -1 0 312.347 1.460 50 5 DDBARM CCCC[C@@H](C(=O)[O-])N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000017031270 182069464 /nfs/dbraw/zinc/06/94/64/182069464.db2.gz JPCYRWOPSGEQFC-NSHDSACASA-N -1 0 306.274 1.834 50 5 DDBARM CC1(C)CCCN1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000063074335 184269127 /nfs/dbraw/zinc/26/91/27/184269127.db2.gz JQLHHOBTIADCSN-UHFFFAOYSA-N -1 0 300.336 1.864 50 5 DDBARM CN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119721749 195026216 /nfs/dbraw/zinc/02/62/16/195026216.db2.gz BBJKSLRKTVMTJB-SECBINFHSA-N -1 0 308.212 1.296 50 5 DDBARM CCCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)=O ZINC000864088104 706064701 /nfs/dbraw/zinc/06/47/01/706064701.db2.gz YNCSFBKJSHLOEB-UHFFFAOYSA-N -1 0 301.324 1.242 50 5 DDBARM CSc1ccc(C(=O)NCC2(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000166952014 197702110 /nfs/dbraw/zinc/70/21/10/197702110.db2.gz QAHRIJGUBULJHF-UHFFFAOYSA-N -1 0 310.331 1.911 50 5 DDBARM Cc1n[nH]cc1[N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000096501508 407273264 /nfs/dbraw/zinc/27/32/64/407273264.db2.gz AVHWYZUACYHZNQ-UHFFFAOYSA-N -1 0 302.337 1.835 50 5 DDBARM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1C(=O)[O-] ZINC000015443689 295555035 /nfs/dbraw/zinc/55/50/35/295555035.db2.gz CRSNXNMNACHFNO-SNVBAGLBSA-N -1 0 314.319 1.052 50 5 DDBARM O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119214284 185708648 /nfs/dbraw/zinc/70/86/48/185708648.db2.gz BFAFRBGGKUSJTI-GYSYKLTISA-N -1 0 306.318 1.988 50 5 DDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000017061193 182073922 /nfs/dbraw/zinc/07/39/22/182073922.db2.gz CEVUCNMQOBOZIN-UTCJRWHESA-N -1 0 304.218 1.462 50 5 DDBARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc([N+](=O)[O-])c1OC ZINC000000070077 406617625 /nfs/dbraw/zinc/61/76/25/406617625.db2.gz PKVVJOTVEOPTFQ-WRWORJQWSA-N -1 0 314.319 1.400 50 5 DDBARM NC(=O)CCn1ccc([N-]c2nc3sccn3c2[N+](=O)[O-])n1 ZINC000072287540 406878561 /nfs/dbraw/zinc/87/85/61/406878561.db2.gz FZLALVKFOOGYQK-UHFFFAOYSA-N -1 0 321.322 1.120 50 5 DDBARM Cc1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000020614567 182238561 /nfs/dbraw/zinc/23/85/61/182238561.db2.gz NNEBPNFVILTISL-UHFFFAOYSA-N -1 0 304.262 1.587 50 5 DDBARM O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000016275824 406882837 /nfs/dbraw/zinc/88/28/37/406882837.db2.gz UKYSURKDHIWWOJ-UHFFFAOYSA-N -1 0 322.302 1.115 50 5 DDBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1nnn[n-]1 ZINC000952884026 775644731 /nfs/dbraw/zinc/64/47/31/775644731.db2.gz RPWYIPINMQBBHK-LLVKDONJSA-N -1 0 317.309 1.785 50 5 DDBARM COP(=O)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000003182049 406713454 /nfs/dbraw/zinc/71/34/54/406713454.db2.gz CROWTIBVLDZYGC-UHFFFAOYSA-N -1 0 310.224 1.274 50 5 DDBARM CCSc1nnc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])s1 ZINC000002779241 180955623 /nfs/dbraw/zinc/95/56/23/180955623.db2.gz GAUGRPLGEXBBOB-UHFFFAOYSA-N -1 0 314.352 1.544 50 5 DDBARM Cc1ccc(Nc2nc(NCC(=O)[O-])nc(N)c2[N+](=O)[O-])cc1 ZINC000005190650 181215147 /nfs/dbraw/zinc/21/51/47/181215147.db2.gz LDGGDRDKAHIWOD-UHFFFAOYSA-N -1 0 318.293 1.516 50 5 DDBARM O=C([O-])C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000013166979 181835685 /nfs/dbraw/zinc/83/56/85/181835685.db2.gz AYJGCQSWRRPDRL-UHFFFAOYSA-N -1 0 323.261 1.440 50 5 DDBARM O=C([O-])CN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O ZINC000000966746 406662593 /nfs/dbraw/zinc/66/25/93/406662593.db2.gz GGSDCOASHFUHDF-UITAMQMPSA-N -1 0 308.271 1.716 50 5 DDBARM COC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[C@@H]2[C@H]1C(=O)[O-] ZINC000242575038 407916514 /nfs/dbraw/zinc/91/65/14/407916514.db2.gz NPNZWNCDQBAUAE-DXBFQKDVSA-N -1 0 306.274 1.291 50 5 DDBARM CCC(=O)NCCc1c2cc([N+](=O)[O-])ccc2[nH]c1C(=O)[O-] ZINC000003863642 181050181 /nfs/dbraw/zinc/05/01/81/181050181.db2.gz CDBZOOYNDLLUQC-UHFFFAOYSA-N -1 0 305.290 1.843 50 5 DDBARM CCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002483704 406688491 /nfs/dbraw/zinc/68/84/91/406688491.db2.gz BCUJNAKCLZNDSE-UHFFFAOYSA-N -1 0 314.348 1.810 50 5 DDBARM COC(=O)[C@]1(C(=O)[O-])Cc2cc([N+](=O)[O-])ccc2N2CCC[C@H]21 ZINC000229798527 407672526 /nfs/dbraw/zinc/67/25/26/407672526.db2.gz VVDMOGJPPTWGSX-SWLSCSKDSA-N -1 0 320.301 1.364 50 5 DDBARM CCc1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000072275946 418489278 /nfs/dbraw/zinc/48/92/78/418489278.db2.gz BRXIDSYFTAKYDL-UHFFFAOYSA-N -1 0 313.360 2.415 50 5 DDBARM O=c1[n-]c(CCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000097163598 407284261 /nfs/dbraw/zinc/28/42/61/407284261.db2.gz IPRIXMKILPOOOH-UHFFFAOYSA-N -1 0 318.120 1.968 50 5 DDBARM O=[N+]([O-])[C@@]1(c2cccc3ncccc32)N=CN2NC=NC([O-])=C21 ZINC000075286945 353357711 /nfs/dbraw/zinc/35/77/11/353357711.db2.gz MVRDQPIDFAACTC-CQSZACIVSA-N -1 0 310.273 1.282 50 5 DDBARM Cc1ccc(OCCCn2cc([N+](=O)[O-])c(=O)[n-]c2=O)cc1C ZINC000075143837 353350468 /nfs/dbraw/zinc/35/04/68/353350468.db2.gz KALNEHZFRTULKH-UHFFFAOYSA-N -1 0 319.317 1.531 50 5 DDBARM Cc1n[n-]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1=O ZINC000004248998 181087591 /nfs/dbraw/zinc/08/75/91/181087591.db2.gz GYLTVEDAEYLMKQ-UHFFFAOYSA-N -1 0 321.318 1.112 50 5 DDBARM Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000124274709 292281857 /nfs/dbraw/zinc/28/18/57/292281857.db2.gz IAPRMGSUVLQFLS-VIFPVBQESA-N -1 0 304.310 1.292 50 5 DDBARM Cc1ccc(C(=O)C[C@@H](C(=O)[O-])n2cnc([N+](=O)[O-])n2)cc1 ZINC000000818198 180835074 /nfs/dbraw/zinc/83/50/74/180835074.db2.gz OEANJVRCXHQERV-JTQLQIEISA-N -1 0 304.262 1.393 50 5 DDBARM O=C([O-])CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O ZINC000000966736 406661072 /nfs/dbraw/zinc/66/10/72/406661072.db2.gz DEZJLIXJXQEJDP-UITAMQMPSA-N -1 0 308.271 1.716 50 5 DDBARM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1Cl ZINC000002506188 406689803 /nfs/dbraw/zinc/68/98/03/406689803.db2.gz LIJWFPDPQCHRKR-ZCFIWIBFSA-N -1 0 322.726 1.308 50 5 DDBARM CC(C)Oc1ccccc1Cn1cc([N+](=O)[O-])c(=O)[n-]c1=O ZINC000096416337 407262167 /nfs/dbraw/zinc/26/21/67/407262167.db2.gz KPYVNTHYUNHPAL-UHFFFAOYSA-N -1 0 305.290 1.693 50 5 DDBARM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000230185817 407682048 /nfs/dbraw/zinc/68/20/48/407682048.db2.gz BFAFRBGGKUSJTI-MISXGVKJSA-N -1 0 306.318 1.988 50 5 DDBARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000012736788 304098052 /nfs/dbraw/zinc/09/80/52/304098052.db2.gz IHOMIOLKZPOBBF-SNVBAGLBSA-N -1 0 319.317 1.633 50 5 DDBARM COC(=O)C(=Cc1cc(OC)c([O-])c([N+](=O)[O-])c1)C(=O)OC ZINC000035391944 406972094 /nfs/dbraw/zinc/97/20/94/406972094.db2.gz HUDFMIAEJVASQA-UHFFFAOYSA-N -1 0 311.246 1.038 50 5 DDBARM O=C1[N-]C(=O)C2(COC(c3cccc([N+](=O)[O-])c3)OC2)S1 ZINC000000990032 284860507 /nfs/dbraw/zinc/86/05/07/284860507.db2.gz UXILJLKYQVUAKZ-UHFFFAOYSA-N -1 0 310.287 1.362 50 5 DDBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2CO)cc1 ZINC000000318687 406639897 /nfs/dbraw/zinc/63/98/97/406639897.db2.gz LKADVAWBBYNQJQ-UHFFFAOYSA-N -1 0 308.315 1.888 50 5 DDBARM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccn(C)n2)c1C ZINC000009468023 406809229 /nfs/dbraw/zinc/80/92/29/406809229.db2.gz WNZIECSFMIAXPW-UHFFFAOYSA-N -1 0 310.335 1.746 50 5 DDBARM CC(C)C[C@H](C(=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000002454795 279076721 /nfs/dbraw/zinc/07/67/21/279076721.db2.gz AGYCESFEZUQKOV-SNVBAGLBSA-N -1 0 306.274 1.690 50 5 DDBARM CCN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)N(C)C1=S ZINC000037219723 285150236 /nfs/dbraw/zinc/15/02/36/285150236.db2.gz VJRZJOREYYDZGK-YFHOEESVSA-N -1 0 307.331 1.720 50 5 DDBARM O=C([O-])CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000000966703 180837755 /nfs/dbraw/zinc/83/77/55/180837755.db2.gz JHSDXTLOBRHGEP-WEVVVXLNSA-N -1 0 308.271 1.716 50 5 DDBARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000003864738 181050728 /nfs/dbraw/zinc/05/07/28/181050728.db2.gz MJEHEGPWQFISSE-SECBINFHSA-N -1 0 314.319 1.080 50 5 DDBARM CN(C[C@H](O)C(F)(F)F)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119721596 195025914 /nfs/dbraw/zinc/02/59/14/195025914.db2.gz BBJKSLRKTVMTJB-VIFPVBQESA-N -1 0 308.212 1.296 50 5 DDBARM O=C([O-])CCCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000001426494 406668562 /nfs/dbraw/zinc/66/85/62/406668562.db2.gz JUALOLRAEVRNPN-UHFFFAOYSA-N -1 0 318.289 1.908 50 5 DDBARM Cn1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000005325292 181229669 /nfs/dbraw/zinc/22/96/69/181229669.db2.gz WPJLLTRUBKOIPH-VOTSOKGWSA-N -1 0 312.285 1.634 50 5 DDBARM Nc1ccccc1-c1nnc(Cc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000012561753 406847774 /nfs/dbraw/zinc/84/77/74/406847774.db2.gz QHTUVSNTUMIMKX-UHFFFAOYSA-N -1 0 323.312 1.913 50 5 DDBARM Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000097373304 407292367 /nfs/dbraw/zinc/29/23/67/407292367.db2.gz ROMCRIMDBFXCPL-SNVBAGLBSA-N -1 0 316.317 1.550 50 5 DDBARM O=c1[n-]c(=O)n(Cc2cc(F)cc3cccnc32)cc1[N+](=O)[O-] ZINC000075138409 353350236 /nfs/dbraw/zinc/35/02/36/353350236.db2.gz SXAQZXDHAAQFFQ-UHFFFAOYSA-N -1 0 316.248 1.593 50 5 DDBARM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000096450992 407268337 /nfs/dbraw/zinc/26/83/37/407268337.db2.gz KJOPMVOWXALONJ-UHFFFAOYSA-N -1 0 310.335 1.746 50 5 DDBARM Cc1cnc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000097162591 407284163 /nfs/dbraw/zinc/28/41/63/407284163.db2.gz SBXGGKYVQQXLMB-UHFFFAOYSA-N -1 0 303.321 1.431 50 5 DDBARM CC(C)(C)[S@@](=O)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000079028364 185147294 /nfs/dbraw/zinc/14/72/94/185147294.db2.gz VBCJZLHUFUBHCC-OAQYLSRUSA-N -1 0 314.363 1.577 50 5 DDBARM O=C([O-])CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000001732840 180892824 /nfs/dbraw/zinc/89/28/24/180892824.db2.gz RDDDCNAVGLYHTA-UHFFFAOYSA-N -1 0 306.274 1.836 50 5 DDBARM Cn1c2ccccc2c2nn3c(nnc3SCC(=O)[O-])nc21 ZINC000001001307 406663005 /nfs/dbraw/zinc/66/30/05/406663005.db2.gz CZSLPRPHNNOBHT-UHFFFAOYSA-N -1 0 314.330 1.341 50 5 DDBARM COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000225573738 407596211 /nfs/dbraw/zinc/59/62/11/407596211.db2.gz VPVLAASYDVYQOM-SECBINFHSA-N -1 0 309.278 1.684 50 5 DDBARM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc([N+](=O)[O-])c1[O-] ZINC000230181637 407681913 /nfs/dbraw/zinc/68/19/13/407681913.db2.gz OFZOSGKWAWJJJI-UFGOTCBOSA-N -1 0 306.318 1.988 50 5 DDBARM O=C([O-])C1CCC(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000000303378 304037868 /nfs/dbraw/zinc/03/78/68/304037868.db2.gz OYSVLSUFXVYDTO-UHFFFAOYSA-N -1 0 318.285 1.834 50 5 DDBARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000005557621 181256924 /nfs/dbraw/zinc/25/69/24/181256924.db2.gz DKTQTGKVALNZRF-UHFFFAOYSA-N -1 0 323.330 1.986 50 5 DDBARM Cc1n[n-]c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc1=O ZINC000005611904 181263347 /nfs/dbraw/zinc/26/33/47/181263347.db2.gz YWGHTFKXODEPRH-UHFFFAOYSA-N -1 0 306.303 1.357 50 5 DDBARM CC(=O)Oc1c(C(=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000003159904 278222585 /nfs/dbraw/zinc/22/25/85/278222585.db2.gz JVLDXYUWZWVKGS-UHFFFAOYSA-N -1 0 304.052 1.981 50 5 DDBARM CS(=O)(=O)c1ccc(N2CCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000015443693 295556938 /nfs/dbraw/zinc/55/69/38/295556938.db2.gz CVQBYXIPWRZGJO-SNVBAGLBSA-N -1 0 314.319 1.052 50 5 DDBARM O=C([O-])c1ccccc1Nc1cn2ncc([N+](=O)[O-])c2c(=O)[nH]1 ZINC000004624198 304271231 /nfs/dbraw/zinc/27/12/31/304271231.db2.gz PVGCEUGAEBHSOB-UHFFFAOYSA-N -1 0 315.245 1.373 50 5 DDBARM COc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1OC ZINC000030840453 406934387 /nfs/dbraw/zinc/93/43/87/406934387.db2.gz RCOFVFNWIANBAA-SREVYHEPSA-N -1 0 319.273 1.159 50 5 DDBARM Cc1c(CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000124504076 407360210 /nfs/dbraw/zinc/36/02/10/407360210.db2.gz SVKYLMUZKKAKMP-SECBINFHSA-N -1 0 318.337 1.221 50 5 DDBARM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncns1 ZINC000170609240 407452324 /nfs/dbraw/zinc/45/23/24/407452324.db2.gz OHMQDEUDMBVYSB-UHFFFAOYSA-N -1 0 316.320 1.256 50 5 DDBARM CCC1(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000233077133 407703361 /nfs/dbraw/zinc/70/33/61/407703361.db2.gz ZTVMEINVISJAEX-UHFFFAOYSA-N -1 0 300.336 1.769 50 5 DDBARM C[C@@H](c1cnn(C)c1)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097374977 353919640 /nfs/dbraw/zinc/91/96/40/353919640.db2.gz OBCVNCNOVYHXPM-VIFPVBQESA-N -1 0 304.306 1.867 50 5 DDBARM O=C(c1cccc([N+](=O)[O-])c1[O-])N(C[C@@H]1CCOC1)C1CC1 ZINC000132117796 196227591 /nfs/dbraw/zinc/22/75/91/196227591.db2.gz MCSWGVPHWRGUTH-JTQLQIEISA-N -1 0 306.318 1.942 50 5 DDBARM O=C([N-]n1cnc2ccccc2c1=O)c1ccccc1[N+](=O)[O-] ZINC000000183340 406629915 /nfs/dbraw/zinc/62/99/15/406629915.db2.gz XLKJXAYWHORGCJ-UHFFFAOYSA-N -1 0 310.269 1.689 50 5 DDBARM CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC000002762927 406697971 /nfs/dbraw/zinc/69/79/71/406697971.db2.gz GYWMPNOAHQIRMG-UHFFFAOYSA-N -1 0 318.289 1.439 50 5 DDBARM