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CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C)o1 ZINC000262907948 379001766 /nfs/dbraw/zinc/00/17/66/379001766.db2.gz RKVVKZYAQYMERQ-SECBINFHSA-N -1 0 332.334 -0.578 50 0 EBAARM CS(=O)(=O)N1CCC[C@@H](C(=O)N(CC(=O)[O-])C2CCOCC2)C1 ZINC000299753947 379562994 /nfs/dbraw/zinc/56/29/94/379562994.db2.gz ZYHMYJQQJXYLRU-LLVKDONJSA-N -1 0 348.421 -0.250 50 0 EBAARM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000655597683 419450085 /nfs/dbraw/zinc/45/00/85/419450085.db2.gz WELPJLOBTACFSK-GFCCVEGCSA-N -1 0 345.359 -0.412 50 0 EBAARM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000521363658 419942072 /nfs/dbraw/zinc/94/20/72/419942072.db2.gz JCOOYVKCJGJSQC-DGCLKSJQSA-N -1 0 333.344 -0.258 50 0 EBAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CN3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000426628692 420514500 /nfs/dbraw/zinc/51/45/00/420514500.db2.gz CMBFCVGGOUSYHD-IMRBUKKESA-N -1 0 331.376 -0.612 50 0 EBAARM C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)[O-])C1 ZINC000012443275 297232941 /nfs/dbraw/zinc/23/29/41/297232941.db2.gz HPOFTAVITWFIMI-RKDXNWHRSA-N -1 0 335.364 -0.010 50 0 EBAARM O=C(NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2)c1n[nH]c(=O)[n-]1 ZINC000670462985 546011764 /nfs/dbraw/zinc/01/17/64/546011764.db2.gz IXVJXUHLZKMMFF-QUJNKJAPSA-N -1 0 330.352 -0.025 50 0 EBAARM N=c1nn[n-]n1CC(=O)NCCc1nc(Cc2ccccc2)no1 ZINC000952983441 654515294 /nfs/dbraw/zinc/51/52/94/654515294.db2.gz FBHYILYMKODQAY-UHFFFAOYSA-N -1 0 328.336 -0.582 50 0 EBAARM CCc1ccc(Cn2nc(CC(N)=O)nc2Cn2[n-]nnc2=N)cc1 ZINC000952868016 803808899 /nfs/dbraw/zinc/80/88/99/803808899.db2.gz WJMDJKADYVVHAK-UHFFFAOYSA-N -1 0 341.379 -0.636 50 0 EBAARM CNS(=O)(=O)c1ncccc1[N-]S(=O)(=O)c1cnn(C)c1C ZINC000585129213 1128139100 /nfs/dbraw/zinc/13/91/00/1128139100.db2.gz BRSVGLXYOLGKKU-UHFFFAOYSA-N -1 0 345.406 -0.168 50 0 EBAARM CCC1=C(C(=O)OC)Sc2nnc(CCC(=O)[O-])c(=O)n2N1 ZINC000019689548 202017060 /nfs/dbraw/zinc/01/70/60/202017060.db2.gz RGTBIHYRGXSXSA-SECBINFHSA-N -1 0 326.334 -0.083 50 0 EBAARM 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ZINC000004293703 381920596 /nfs/dbraw/zinc/92/05/96/381920596.db2.gz KMYWVDDIPVNLME-XJCFNFQFSA-N -1 0 329.209 -0.817 50 0 endogenous,in-man EBAARM CCN1CCNC(=O)[C@H]1CC(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000299794940 258099678 /nfs/dbraw/zinc/09/96/78/258099678.db2.gz KSJPNIIBRNJNOO-SNVBAGLBSA-N -1 0 340.405 -0.290 50 0 EBAARM O=C([O-])C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)CCO1 ZINC000262692968 154244554 /nfs/dbraw/zinc/24/45/54/154244554.db2.gz AMRMBVGJXLWQJN-SECBINFHSA-N -1 0 348.402 -0.272 50 0 EBAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1cc(N)nc(N)n1)CC2 ZINC000082157408 419017770 /nfs/dbraw/zinc/01/77/70/419017770.db2.gz CGBJOUDFICNTCD-JTQLQIEISA-N -1 0 334.380 -0.067 50 0 EBAARM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000521363659 419942324 /nfs/dbraw/zinc/94/23/24/419942324.db2.gz JCOOYVKCJGJSQC-WCQYABFASA-N -1 0 333.344 -0.258 50 0 EBAARM Cn1c(=O)ccn(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1=O ZINC000299742994 302893662 /nfs/dbraw/zinc/89/36/62/302893662.db2.gz LIZHATGDQSQZML-UTUOFQBUSA-N -1 0 335.360 -0.209 50 0 EBAARM Cn1nc(CC(=O)N2CCOC[C@@H]2C(=O)[O-])c2ccccc2c1=O ZINC000262528722 303043945 /nfs/dbraw/zinc/04/39/45/303043945.db2.gz SCHZLEJASPDENG-CYBMUJFWSA-N -1 0 331.328 -0.212 50 0 EBAARM CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000090932445 545918718 /nfs/dbraw/zinc/91/87/18/545918718.db2.gz KVGCGROILCODJN-QMMMGPOBSA-N -1 0 333.391 -0.119 50 0 EBAARM Cc1nc(C(=O)N[C@H](C)C(=O)[O-])nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000262420188 546006348 /nfs/dbraw/zinc/00/63/48/546006348.db2.gz FGJJPHKCYHNWCX-GSVOUGTGSA-N -1 0 333.230 -0.084 50 0 EBAARM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)Cn2cc(C)cn2)CCO1 ZINC000681943642 546316735 /nfs/dbraw/zinc/31/67/35/546316735.db2.gz ZOCZUMHKENVJPG-ZDUSSCGKSA-N -1 0 338.364 -0.648 50 0 EBAARM CNc1ccnc(N2CCN(C(=O)c3ncc[nH]3)C[C@@H](C(=O)[O-])C2)n1 ZINC000097831074 649973870 /nfs/dbraw/zinc/97/38/70/649973870.db2.gz NXZRLXAVPKVUOK-SNVBAGLBSA-N -1 0 345.363 -0.095 50 0 EBAARM 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346.405 -0.264 50 0 biogenic EBAARM Cn1c2[nH]c(-c3ccc(S(=O)(=O)[O-])cc3)nc2c(=O)n(C)c1=O ZINC000005322904 302899174 /nfs/dbraw/zinc/89/91/74/302899174.db2.gz LXJSJIXZOAMHTG-UHFFFAOYSA-N -1 0 336.329 -0.126 50 0 in-vivo EBAARM Cc1ccc(S(=O)(=O)NCCCNC(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000670446004 546008587 /nfs/dbraw/zinc/00/85/87/546008587.db2.gz UZHQQDBWDRWTCV-UHFFFAOYSA-N -1 0 339.377 -0.083 50 0 EBAARM O=C([O-])CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000013041505 201883966 /nfs/dbraw/zinc/88/39/66/201883966.db2.gz WYBFWLSQRDMZNG-KOLCDFICSA-N -1 0 346.336 -0.850 50 0 EBAARM CCS(=O)(=O)N1CCN(C(=O)c2c(C(=O)[O-])cnn2C)CC1 ZINC000020318505 202037837 /nfs/dbraw/zinc/03/78/37/202037837.db2.gz KXOSSFIJCDQRKK-UHFFFAOYSA-N -1 0 330.366 -0.774 50 0 EBAARM CCS(=O)(=O)N1CCN(C(=O)c2nn(C)cc2C(=O)[O-])CC1 ZINC000020319297 202038336 /nfs/dbraw/zinc/03/83/36/202038336.db2.gz OTTKGXKQUYIAKU-UHFFFAOYSA-N -1 0 330.366 -0.774 50 0 EBAARM O=P([O-])(O[C@@H]1C=CS(=O)(=O)C1)O[C@@H]1C=CS(=O)(=O)C1 ZINC000005477751 541328748 /nfs/dbraw/zinc/32/87/48/541328748.db2.gz VWYWFNAZMQCNNT-HTQZYQBOSA-N -1 0 330.276 -0.259 50 0 EBAARM CNC(=O)c1cc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)cs1 ZINC000071747292 203106337 /nfs/dbraw/zinc/10/63/37/203106337.db2.gz DZNKRXLBATZPRF-UHFFFAOYSA-N -1 0 348.402 -0.292 50 0 EBAARM O=C([O-])C1(O)CCN(C(=O)[C@H](c2cccnc2)N2CCOCC2)CC1 ZINC000071760290 203109264 /nfs/dbraw/zinc/10/92/64/203109264.db2.gz INERUBNTVDDPDS-AWEZNQCLSA-N -1 0 349.387 -0.107 50 0 EBAARM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@]2(C(=O)[O-])CCSC2)C1 ZINC000043509995 204280310 /nfs/dbraw/zinc/28/03/10/204280310.db2.gz CZLZPUYRVKMKJI-JOYOIKCWSA-N -1 0 336.435 -0.266 50 0 EBAARM N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CN3C=CN4NC=CC=C34)CS[C@H]12 ZINC000066351902 376232362 /nfs/dbraw/zinc/23/23/62/376232362.db2.gz NDXTUUKQLANBAV-ZWNOBZJWSA-N -1 0 333.373 -0.470 50 0 EBAARM O=C([O-])CCN1CCN(Cc2ncc[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091391087 376443633 /nfs/dbraw/zinc/44/36/33/376443633.db2.gz VBPXXFGFABPEAA-MNOVXSKESA-N -1 0 328.394 -0.832 50 0 EBAARM O=C([O-])[C@H]1CN(Cc2cn[nH]n2)CCN(C(=O)Cc2ccncc2)C1 ZINC000097099475 376510467 /nfs/dbraw/zinc/51/04/67/376510467.db2.gz QREBKOPAAQJJRO-ZDUSSCGKSA-N -1 0 344.375 -0.213 50 0 EBAARM O=C([O-])[C@H]1COCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262500242 304199869 /nfs/dbraw/zinc/19/98/69/304199869.db2.gz NKKYKVSEKJUFDF-LLVKDONJSA-N -1 0 333.300 -0.586 50 0 EBAARM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC000252491717 377006802 /nfs/dbraw/zinc/00/68/02/377006802.db2.gz LRJCUGFNZLUDMK-RKDXNWHRSA-N -1 0 333.366 -0.046 50 0 EBAARM Cn1c(=O)[nH]cc(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1=O ZINC000217137048 378420161 /nfs/dbraw/zinc/42/01/61/378420161.db2.gz UBDYLRHQPGWFKL-LBPRGKRZSA-N -1 0 331.328 -0.052 50 0 EBAARM Cn1c(=O)[nH]cc(CC(=O)NCCOc2cccc(C(=O)[O-])c2)c1=O ZINC000220624958 378471848 /nfs/dbraw/zinc/47/18/48/378471848.db2.gz HTFVUFUXPPMRNU-UHFFFAOYSA-N -1 0 347.327 -0.491 50 0 EBAARM CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000315216857 378485012 /nfs/dbraw/zinc/48/50/12/378485012.db2.gz TXLFXNGDWRQWMO-LLVKDONJSA-N -1 0 328.346 -0.480 50 0 EBAARM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000299751847 379560444 /nfs/dbraw/zinc/56/04/44/379560444.db2.gz RYTMVUJBNAVCMC-SNVBAGLBSA-N -1 0 327.362 -0.066 50 0 EBAARM COc1ccccc1[N-]S(=O)(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000004270191 379734300 /nfs/dbraw/zinc/73/43/00/379734300.db2.gz HWBYMIOSVSLIFR-UHFFFAOYSA-N -1 0 340.361 -0.524 50 0 EBAARM CNS(=O)(=O)CCN(Cc1cccnc1)C(=O)/C=C/C(=O)[O-] ZINC000009341379 379991155 /nfs/dbraw/zinc/99/11/55/379991155.db2.gz IAWHHAJEBJGCTJ-SNAWJCMRSA-N -1 0 327.362 -0.400 50 0 EBAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000071281912 379999255 /nfs/dbraw/zinc/99/92/55/379999255.db2.gz DQDNHEIJDWLTGW-UTUOFQBUSA-N -1 0 344.433 -0.326 50 0 EBAARM O=C([O-])CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1 ZINC000016648350 380955404 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/nfs/dbraw/zinc/42/04/54/378420454.db2.gz MSKUOIYKMIKONO-LBPRGKRZSA-N -1 0 329.312 -0.275 50 0 EBAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3OC)c(=O)c1-2 ZINC000017836776 379113037 /nfs/dbraw/zinc/11/30/37/379113037.db2.gz QDNXWUUKSPWKFV-GHMZBOCLSA-N -1 0 333.300 -0.306 50 0 EBAARM O=C([O-])[C@H]1CSCN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000274934810 379724430 /nfs/dbraw/zinc/72/44/30/379724430.db2.gz DWVYEGDMDAPUEX-PSASIEDQSA-N -1 0 333.391 -0.007 50 0 EBAARM NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000013251513 207367439 /nfs/dbraw/zinc/36/74/39/207367439.db2.gz QTQYJPLSUOPYHP-PWSUYJOCSA-N -1 0 342.373 -0.687 50 0 EBAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000372023624 382204210 /nfs/dbraw/zinc/20/42/10/382204210.db2.gz VBSJMBHBTIUKEK-GFCCVEGCSA-N -1 0 335.360 -0.010 50 0 EBAARM C[C@](O)(CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-] ZINC000262458605 154231421 /nfs/dbraw/zinc/23/14/21/154231421.db2.gz XDGQXCPJLPRMOP-NHYWBVRUSA-N -1 0 327.381 -0.134 50 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/nfs/dbraw/zinc/75/76/05/803757605.db2.gz MXTKLCDEAFMGML-LLVKDONJSA-N -1 0 335.364 -0.360 50 0 EBAARM O=C([O-])c1cncc(N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)n1 ZINC000219603899 803757856 /nfs/dbraw/zinc/75/78/56/803757856.db2.gz BCWDEIWLWXXIEY-CHWSQXEVSA-N -1 0 336.392 -0.058 50 0 EBAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000018143363 290928177 /nfs/dbraw/zinc/92/81/77/290928177.db2.gz RJRDKSHVBAXIAA-WCQYABFASA-N -1 0 345.311 -0.056 50 0 EBAARM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000033330761 202258659 /nfs/dbraw/zinc/25/86/59/202258659.db2.gz JKQNJOPWJWNHGL-UHFFFAOYSA-N -1 0 339.329 -0.041 50 0 EBAARM Cn1c(=O)ccn(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1=O ZINC000299742992 201355141 /nfs/dbraw/zinc/35/51/41/201355141.db2.gz LIZHATGDQSQZML-SRVKXCTJSA-N -1 0 335.360 -0.209 50 0 EBAARM C[C@H]1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)[O-])C1 ZINC000011693965 375953484 /nfs/dbraw/zinc/95/34/84/375953484.db2.gz JWSAINPVUBNSSR-VIFPVBQESA-N -1 0 335.364 -0.245 50 0 EBAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C(=O)OC)cc3)c(=O)c1-2 ZINC000100885278 376065879 /nfs/dbraw/zinc/06/58/79/376065879.db2.gz JGWQYRVRRNMSLB-ZJUUUORDSA-N -1 0 331.284 -0.537 50 0 EBAARM O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCc1nnn[n-]1 ZINC000065417846 376223636 /nfs/dbraw/zinc/22/36/36/376223636.db2.gz RBDNYCWJCFAICB-GFCCVEGCSA-N -1 0 329.364 -0.793 50 0 EBAARM CC1CCC(NS(=O)(=O)CC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000299749253 376351368 /nfs/dbraw/zinc/35/13/68/376351368.db2.gz JRPQLMYBAOKPHB-MCIGGMRASA-N -1 0 348.421 -0.204 50 0 EBAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)CCn1cnnc1)CC2 ZINC000091635488 376446292 /nfs/dbraw/zinc/44/62/92/376446292.db2.gz DWZLMGWJJVXGJA-CYBMUJFWSA-N -1 0 349.391 -0.018 50 0 EBAARM C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)[O-])C[C@H](C)O1 ZINC000011693949 376687509 /nfs/dbraw/zinc/68/75/09/376687509.db2.gz FEQKXEFBJPZHRK-OCAPTIKFSA-N -1 0 337.336 -0.879 50 0 EBAARM O=C(CN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)NCc1ccccc1 ZINC000092616751 376958151 /nfs/dbraw/zinc/95/81/51/376958151.db2.gz XDPXYKJNZDPYDO-UHFFFAOYSA-N -1 0 330.392 -0.468 50 0 EBAARM O=P([O-])(O[C@H]1C=CS(=O)(=O)C1)O[C@H]1C=CS(=O)(=O)C1 ZINC000005477750 377178653 /nfs/dbraw/zinc/17/86/53/377178653.db2.gz VWYWFNAZMQCNNT-YUMQZZPRSA-N -1 0 330.276 -0.259 50 0 EBAARM COC(=O)C[C@H](C(=O)OC)[P@@](=O)([O-])CN(C)S(C)(=O)=O ZINC000002811508 379648515 /nfs/dbraw/zinc/64/85/15/379648515.db2.gz VALSECVMOSUXOH-SSDOTTSWSA-N -1 0 331.283 -0.790 50 0 EBAARM C[C@@](O)(CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-] ZINC000262458602 154232067 /nfs/dbraw/zinc/23/20/67/154232067.db2.gz XDGQXCPJLPRMOP-IAQYHMDHSA-N -1 0 327.381 -0.134 50 0 EBAARM C[C@]1(c2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2)NC(=O)NC1=O ZINC000262964475 154251821 /nfs/dbraw/zinc/25/18/21/154251821.db2.gz KRZQLCXIIXRPDX-BDJLRTHQSA-N -1 0 347.327 -0.333 50 0 EBAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000222842668 419248415 /nfs/dbraw/zinc/24/84/15/419248415.db2.gz XGEGFZAKDZQASF-VXGBXAGGSA-N -1 0 347.327 -0.088 50 0 EBAARM Cc1cc2ncc(C(=O)N3CC[C@]4(CC(=O)NC4=O)C3)c(=O)n2[n-]1 ZINC000102740513 419567395 /nfs/dbraw/zinc/56/73/95/419567395.db2.gz UIWFTFBDNIGCIL-HNNXBMFYSA-N -1 0 329.316 -0.790 50 0 EBAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC000426510339 420514280 /nfs/dbraw/zinc/51/42/80/420514280.db2.gz PAVGEKGQWQEPOZ-JTQLQIEISA-N -1 0 349.347 -0.775 50 0 EBAARM Cc1cc2ncc(C(=O)N3CC[C@@]4(CC(=O)NC4=O)C3)c(=O)n2[n-]1 ZINC000102740516 301434476 /nfs/dbraw/zinc/43/44/76/301434476.db2.gz UIWFTFBDNIGCIL-OAHLLOKOSA-N -1 0 329.316 -0.790 50 0 EBAARM NC(=O)C1=C[C@@]2([N+](=O)[O-])CN(CCC(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2 ZINC000008443977 303238434 /nfs/dbraw/zinc/23/84/34/303238434.db2.gz CAGWHDBISYBNSB-NWDGAFQWSA-N -1 0 328.281 -0.987 50 0 EBAARM Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC000012502230 303506542 /nfs/dbraw/zinc/50/65/42/303506542.db2.gz IVOMOUWHDPKRLL-XJCFNFQFSA-N -1 0 329.209 -0.817 50 0 EBAARM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CCO1 ZINC000378166951 526331718 /nfs/dbraw/zinc/33/17/18/526331718.db2.gz DWSPTINZMXLTSA-WCQYABFASA-N -1 0 333.344 -0.258 50 0 EBAARM O=C([O-])CCN1CCN(Cc2nccs2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091780499 649972264 /nfs/dbraw/zinc/97/22/64/649972264.db2.gz DETKYAWJJRHSNN-MNOVXSKESA-N -1 0 345.446 -0.099 50 0 EBAARM CN1CCC[C@]2(CCN(C(=O)CCc3n[n-]c(N)nc3=O)C2)C1=O ZINC000071315720 719403369 /nfs/dbraw/zinc/40/33/69/719403369.db2.gz LCNGSHCPZYGFFD-OAHLLOKOSA-N -1 0 334.380 -0.849 50 0 EBAARM CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3ccn4nnnc4c3)C[C@H]2C1=O ZINC000072475371 719404399 /nfs/dbraw/zinc/40/43/99/719404399.db2.gz GQQHVGMWAFNDRO-ZUZCIYMTSA-N -1 0 344.331 -0.871 50 0 EBAARM CS(=O)(=O)c1nc(NC(=O)CNC(=O)C=Cc2ccccc2)n[n-]1 ZINC000096257263 201374424 /nfs/dbraw/zinc/37/44/24/201374424.db2.gz AKOFEFNLNZYZDD-FPLPWBNLSA-N -1 0 349.372 -0.024 50 0 EBAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCn1ccc(=O)[nH]c1=O ZINC000215739305 241142817 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COc1cc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)ccc1O ZINC000101763622 204020892 /nfs/dbraw/zinc/02/08/92/204020892.db2.gz NBJJNXICXPWKHU-MRVPVSSYSA-N -1 0 332.316 -0.068 50 0 EBAARM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000003886377 375893669 /nfs/dbraw/zinc/89/36/69/375893669.db2.gz UKHIESSXNFEMIX-PSASIEDQSA-N -1 0 329.330 -0.334 50 0 EBAARM CN(C)S(=O)(=O)Nc1ccc(-n2nnc(C(=O)[O-])c2N)cc1 ZINC000033435970 376715616 /nfs/dbraw/zinc/71/56/16/376715616.db2.gz CELPBRBZGQENQQ-UHFFFAOYSA-N -1 0 326.338 -0.234 50 0 EBAARM O=[P@]([O-])(O[C@@H]1C=CS(=O)(=O)C1)O[C@H]1C=CS(=O)(=O)C1 ZINC000005477749 377178707 /nfs/dbraw/zinc/17/87/07/377178707.db2.gz VWYWFNAZMQCNNT-OCAPTIKFSA-N -1 0 330.276 -0.259 50 0 EBAARM Cc1ccc(-c2nnn(CC(=O)N3CCO[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000262169392 378564604 /nfs/dbraw/zinc/56/46/04/378564604.db2.gz WCJZAQGVUFMBAU-GFCCVEGCSA-N -1 0 331.332 -0.039 50 0 EBAARM O=C([O-])[C@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCO1 ZINC000263047195 379011215 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EBAARM C[C@](O)(CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-] ZINC000262458599 154232069 /nfs/dbraw/zinc/23/20/69/154232069.db2.gz XDGQXCPJLPRMOP-ABAIWWIYSA-N -1 0 327.381 -0.134 50 0 EBAARM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)Nc1nncs1 ZINC000101186949 419172476 /nfs/dbraw/zinc/17/24/76/419172476.db2.gz FXBMMXGHUYVYHJ-JGVFFNPUSA-N -1 0 343.390 -0.502 50 0 EBAARM Cc1cc(C)n2nc(S(=O)(=O)[N-][C@@](C)(C(N)=O)C(C)C)nc2n1 ZINC000000053037 301259945 /nfs/dbraw/zinc/25/99/45/301259945.db2.gz NIRQNXWIWXFWIO-CYBMUJFWSA-N -1 0 340.409 -0.081 50 0 EBAARM Nc1ccnc(N2CC[C@H]3[N@H+](CC(=O)[O-])CCC[C@]3(C(=O)[O-])C2)n1 ZINC000072439187 545685142 /nfs/dbraw/zinc/68/51/42/545685142.db2.gz XZDYZFVOXQEUGD-BMIGLBTASA-N -1 0 335.364 -0.111 50 0 EBAARM CS(=O)(=O)NCCNC(=O)c1c([O-])c2ccccc2oc1=O ZINC000003151721 649932128 /nfs/dbraw/zinc/93/21/28/649932128.db2.gz HFFKZWXKSIEMPQ-UHFFFAOYSA-N -1 0 326.330 -0.222 50 0 EBAARM Cn1c(=O)cc(NC2=C([O-])N(c3ccc(F)cc3)C(=O)C2)n(C)c1=O ZINC000104807045 649974306 /nfs/dbraw/zinc/97/43/06/649974306.db2.gz OCUOFQAVLJIPOJ-NSHDSACASA-N -1 0 346.318 -0.033 50 0 EBAARM Cc1cc(C(F)(F)F)nc(CCNC(=O)Cn2[n-]nnc2=N)n1 ZINC000952967798 654514400 /nfs/dbraw/zinc/51/44/00/654514400.db2.gz MTSNACFBFIIKSD-UHFFFAOYSA-N -1 0 330.274 -0.438 50 0 EBAARM Cc1nnc(N2CCN(C(=O)C3(CO)CC3)C[C@H](C(=O)[O-])C2)s1 ZINC000097797269 219057823 /nfs/dbraw/zinc/05/78/23/219057823.db2.gz QYDMFIKBADNUIO-JTQLQIEISA-N -1 0 340.405 -0.032 50 0 EBAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(OC)ccc3OC)c(=O)c1-2 ZINC000100559235 219101801 /nfs/dbraw/zinc/10/18/01/219101801.db2.gz NQGHPPCPHMBYPL-QWRGUYRKSA-N -1 0 333.300 -0.306 50 0 EBAARM Nc1ncnc2c1ncn2[C@H]1O[C@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC000003869450 210080114 /nfs/dbraw/zinc/08/01/14/210080114.db2.gz IVOMOUWHDPKRLL-DEGSGYPDSA-N -1 0 329.209 -0.817 50 0 in-vitro EBAARM COCCNC(=O)c1[nH]nnc1[N-]S(=O)(=O)c1ccccc1 ZINC000003767185 210073025 /nfs/dbraw/zinc/07/30/25/210073025.db2.gz BCKTXUXJILBRPA-UHFFFAOYSA-N -1 0 325.350 -0.018 50 0 EBAARM Cc1c(C(=O)N2CCn3c(C(N)=O)cnc3C2)cnc2cc(=O)[n-]n21 ZINC000067587344 215164773 /nfs/dbraw/zinc/16/47/73/215164773.db2.gz OOXVJHLLXPRYIT-UHFFFAOYSA-N -1 0 341.331 -0.718 50 0 EBAARM Cn1c([O-])c(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c(=O)n(C)c1=O ZINC000103502021 219308347 /nfs/dbraw/zinc/30/83/47/219308347.db2.gz ZSNMDAHVRKREDF-ZCFIWIBFSA-N -1 0 349.265 -0.367 50 0 EBAARM O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)NCc1nnn[n-]1 ZINC000072162763 216051325 /nfs/dbraw/zinc/05/13/25/216051325.db2.gz NCMJOEDBZFOQLR-ZDUSSCGKSA-N -1 0 343.391 -0.751 50 0 EBAARM Cc1nnnn1-c1ccc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000072427883 216219529 /nfs/dbraw/zinc/21/95/29/216219529.db2.gz QWWWOUAONAIWIQ-ZDUSSCGKSA-N -1 0 331.332 -0.175 50 0 EBAARM CS(=O)(=O)N1CCC[C@@H](CNC(=O)c2[nH]cnc2C(=O)[O-])C1 ZINC000214964575 241100785 /nfs/dbraw/zinc/10/07/85/241100785.db2.gz UXMDFIRBGLKLSF-QMMMGPOBSA-N -1 0 330.366 -0.491 50 0 EBAARM O=C([O-])CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000013041506 375968787 /nfs/dbraw/zinc/96/87/87/375968787.db2.gz WYBFWLSQRDMZNG-ONGXEEELSA-N -1 0 346.336 -0.850 50 0 EBAARM COc1cc([N-]S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc(OC)c1 ZINC000005329154 377153706 /nfs/dbraw/zinc/15/37/06/377153706.db2.gz VFWPVSWBPOYZBM-UHFFFAOYSA-N -1 0 327.318 -0.119 50 0 EBAARM CS(=O)(=O)N1C[C@@H]2CN(C(=O)NC3CCCC3)C[C@]2(C(=O)[O-])C1 ZINC000091562873 218022582 /nfs/dbraw/zinc/02/25/82/218022582.db2.gz AXLKOZKJTXGTFC-HZMBPMFUSA-N -1 0 345.421 -0.083 50 0 EBAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000244734636 378997777 /nfs/dbraw/zinc/99/77/77/378997777.db2.gz NJHOZTCSKSHGPU-BPYAMOTFSA-N -1 0 330.344 -0.371 50 0 EBAARM N=c1nn[n-]n1CC(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000584884410 379118136 /nfs/dbraw/zinc/11/81/36/379118136.db2.gz GGGQUEWDSQECLL-UHFFFAOYSA-N -1 0 342.363 -0.489 50 0 EBAARM O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000096003383 379523757 /nfs/dbraw/zinc/52/37/57/379523757.db2.gz MCFBITPLJBZNNZ-MRVPVSSYSA-N -1 0 343.343 -0.648 50 0 EBAARM O=C([O-])[C@@H]1CSCN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000274934814 379724563 /nfs/dbraw/zinc/72/45/63/379724563.db2.gz DWVYEGDMDAPUEX-SCZZXKLOSA-N -1 0 333.391 -0.007 50 0 EBAARM O=C([O-])[C@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000006092577 381241200 /nfs/dbraw/zinc/24/12/00/381241200.db2.gz PRYLPCLGPXGILY-DKBOKBLXSA-N -1 0 338.268 -0.936 50 0 in-vitro EBAARM COc1ccccc1NC(=O)N1CCN(c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000008496206 135683760 /nfs/dbraw/zinc/68/37/60/135683760.db2.gz RZBGBFWFTRRBBX-UHFFFAOYSA-N -1 0 346.347 -0.179 50 0 EBAARM [NH3+][C@@H](Cn1ccc(=O)n(Cc2ccccc2C(=O)[O-])c1=O)C(=O)[O-] ZINC000003996041 418942764 /nfs/dbraw/zinc/94/27/64/418942764.db2.gz UUIYULWYHDSXHL-NSHDSACASA-N -1 0 333.300 -0.832 50 0 in-vivo EBAARM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652067377 419205646 /nfs/dbraw/zinc/20/56/46/419205646.db2.gz VWJHHTRUKPMTEA-GFCCVEGCSA-N -1 0 342.373 -0.200 50 0 EBAARM C[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000299744936 420939890 /nfs/dbraw/zinc/93/98/90/420939890.db2.gz VPDPDYXYAQNRNA-UTUOFQBUSA-N -1 0 335.426 -0.569 50 0 EBAARM Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc(S(N)(=O)=O)c1C ZINC000268971594 301105964 /nfs/dbraw/zinc/10/59/64/301105964.db2.gz HCCGJSSUOQAAAP-NSHDSACASA-N -1 0 342.373 -0.124 50 0 EBAARM O=C(CN1C(=O)CNC1=O)N[C@@]1(C(=O)[O-])CCCc2ccccc21 ZINC000095372724 303597893 /nfs/dbraw/zinc/59/78/93/303597893.db2.gz JSOZSMUHYFNTCU-INIZCTEOSA-N -1 0 331.328 -0.029 50 0 EBAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000268885421 545653250 /nfs/dbraw/zinc/65/32/50/545653250.db2.gz BQEQDJFACLOKLF-GFCCVEGCSA-N -1 0 329.312 -0.013 50 0 EBAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CCN1 ZINC000071763594 563965416 /nfs/dbraw/zinc/96/54/16/563965416.db2.gz BYZORAPPUKVAPE-NSHDSACASA-N -1 0 342.373 -0.105 50 0 EBAARM O=C([O-])[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@H+](CC2CC2)C1 ZINC000219634611 803757405 /nfs/dbraw/zinc/75/74/05/803757405.db2.gz YHMNGFKKEZCESQ-CYBMUJFWSA-N -1 0 347.437 -0.708 50 0 EBAARM C[C@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)CCCN1CCCCC1=O ZINC000952862999 803808704 /nfs/dbraw/zinc/80/87/04/803808704.db2.gz TZGVYBMTJZXDNY-LBPRGKRZSA-N -1 0 339.392 -0.077 50 0 EBAARM CNc1ccnc(N2CCN(Cc3cn[nH]n3)C[C@H](C(=O)[O-])C2)n1 ZINC000097773048 219055799 /nfs/dbraw/zinc/05/57/99/219055799.db2.gz VBVBWPNXXMAIDT-JTQLQIEISA-N -1 0 332.368 -0.341 50 0 EBAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C(=O)OC)cc3)c(=O)c1-2 ZINC000100885284 219110521 /nfs/dbraw/zinc/11/05/21/219110521.db2.gz JGWQYRVRRNMSLB-UWVGGRQHSA-N -1 0 331.284 -0.537 50 0 EBAARM COC(=O)C[C@@H](C(=O)OC)[P@@](=O)([O-])CN(C)S(C)(=O)=O ZINC000004264464 210155749 /nfs/dbraw/zinc/15/57/49/210155749.db2.gz VALSECVMOSUXOH-ZETCQYMHSA-N -1 0 331.283 -0.790 50 0 EBAARM O=C([O-])C[C@H]1CN(S(=O)(=O)N2CCCC2)C[C@H]1c1cn[nH]n1 ZINC000299793200 304084440 /nfs/dbraw/zinc/08/44/40/304084440.db2.gz HGFSSQHBWDCXRG-VHSXEESVSA-N -1 0 329.382 -0.365 50 0 EBAARM CCCN1C[C@@]2(C(=O)[O-])CN(C(=O)Cn3cccnc3=O)C[C@H]2C1=O ZINC000072407205 216198843 /nfs/dbraw/zinc/19/88/43/216198843.db2.gz QRAIBEBZIJNDDL-MEDUHNTESA-N -1 0 348.359 -0.975 50 0 EBAARM O=C([O-])[C@@]12CNC(=O)[C@@H]1CN(S(=O)(=O)c1ccc(F)c(F)c1)C2 ZINC000072478594 216256730 /nfs/dbraw/zinc/25/67/30/216256730.db2.gz FZAVJVSXKUBZGX-ISVAXAHUSA-N -1 0 346.311 -0.214 50 0 EBAARM Cc1nc(-c2nn(-c3ccccc3)c(=O)n(CC(=O)[O-])c2=O)no1 ZINC000020848049 212175498 /nfs/dbraw/zinc/17/54/98/212175498.db2.gz QIOFTZVOVKCYLJ-UHFFFAOYSA-N -1 0 329.272 -0.163 50 0 EBAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCn1ccc(=O)[nH]c1=O ZINC000215739350 304151798 /nfs/dbraw/zinc/15/17/98/304151798.db2.gz LVLISKTZZGKPJV-ZDUSSCGKSA-N -1 0 343.339 -0.035 50 0 EBAARM O=C([O-])[C@H]1CC(=O)NC12CCN(S(=O)(=O)N1CCCC1)CC2 ZINC000091769511 304174745 /nfs/dbraw/zinc/17/47/45/304174745.db2.gz DKUQIBWSYVOTEJ-SNVBAGLBSA-N -1 0 331.394 -0.618 50 0 EBAARM Cn1c(=O)cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])n(C)c1=O ZINC000095501896 376477521 /nfs/dbraw/zinc/47/75/21/376477521.db2.gz ZRZSMYGDZAPCGP-LLVKDONJSA-N -1 0 349.318 -0.351 50 0 EBAARM O=C([O-])[C@@H]1COCCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000268971567 377067685 /nfs/dbraw/zinc/06/76/85/377067685.db2.gz GYFOBQWQZOLBDC-LBPRGKRZSA-N -1 0 347.327 -0.196 50 0 EBAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C)C(=O)[O-] ZINC000409413244 377297204 /nfs/dbraw/zinc/29/72/04/377297204.db2.gz GGRJPPILYOBWSV-ASXGKARISA-N -1 0 346.405 -0.264 50 0 EBAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000220722059 378475780 /nfs/dbraw/zinc/47/57/80/378475780.db2.gz GCFZSMBQDKAEOA-VXGBXAGGSA-N -1 0 346.343 -0.647 50 0 EBAARM O=C([O-])C[C@@H]1CN(C(=O)CCn2nc3ccccn3c2=O)CCO1 ZINC000262436834 378751316 /nfs/dbraw/zinc/75/13/16/378751316.db2.gz LVYJLAMVDQOXKX-LLVKDONJSA-N -1 0 334.332 -0.412 50 0 EBAARM O=C([O-])C[C@H]1CN(C(=O)CCn2nc3ccccn3c2=O)CCO1 ZINC000262436838 378751921 /nfs/dbraw/zinc/75/19/21/378751921.db2.gz LVYJLAMVDQOXKX-NSHDSACASA-N -1 0 334.332 -0.412 50 0 EBAARM Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCOC[C@@H]1C(=O)[O-])C2=O ZINC000262558200 378868453 /nfs/dbraw/zinc/86/84/53/378868453.db2.gz YUKOYMLNYFCBTD-GFCCVEGCSA-N -1 0 332.312 -0.097 50 0 EBAARM O=C([O-])[C@H]1COCCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000268979511 379336327 /nfs/dbraw/zinc/33/63/27/379336327.db2.gz MNCMLAFFXMDGKU-GFCCVEGCSA-N -1 0 332.316 -0.506 50 0 EBAARM COc1ccc(C)nc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000271923081 379552168 /nfs/dbraw/zinc/55/21/68/379552168.db2.gz FOPKCTKHDXTPGS-UHFFFAOYSA-N -1 0 340.361 -0.403 50 0 EBAARM O=C([O-])CNC(=O)CNC(=O)Cc1cc(=O)oc2cc(O)ccc12 ZINC000002107849 379790433 /nfs/dbraw/zinc/79/04/33/379790433.db2.gz LKGMMRUCWGWBJJ-UHFFFAOYSA-N -1 0 334.284 -0.642 50 0 biogenic EBAARM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000643432135 380238894 /nfs/dbraw/zinc/23/88/94/380238894.db2.gz IGWJTQSKEXUTMA-JQWIXIFHSA-N -1 0 343.332 -0.161 50 0 EBAARM O=C([O-])C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)CCO1 ZINC000262692969 154244416 /nfs/dbraw/zinc/24/44/16/154244416.db2.gz AMRMBVGJXLWQJN-VIFPVBQESA-N -1 0 348.402 -0.272 50 0 EBAARM O=C([O-])[C@@H]1COCCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000268979514 154428855 /nfs/dbraw/zinc/42/88/55/154428855.db2.gz MNCMLAFFXMDGKU-LBPRGKRZSA-N -1 0 332.316 -0.506 50 0 EBAARM Cn1c([O-])c(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)c(=O)[nH]c1=O ZINC000101763653 419176658 /nfs/dbraw/zinc/17/66/58/419176658.db2.gz AQGXYPVGMNEKOM-QMMMGPOBSA-N -1 0 330.300 -0.053 50 0 EBAARM O=C([O-])CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1 ZINC000016626782 419456730 /nfs/dbraw/zinc/45/67/30/419456730.db2.gz FJQSOPCGFWVGTM-UHFFFAOYSA-N -1 0 334.375 -0.417 50 0 EBAARM O=c1[nH]c([O-])c([C@H]2c3ccccc3Oc3[nH]c(=O)[nH]c(=O)c32)c(=O)[nH]1 ZINC000004807849 304819356 /nfs/dbraw/zinc/81/93/56/304819356.db2.gz MOFDIVLPTFXSRB-SSDOTTSWSA-N -1 0 342.267 -0.156 50 0 EBAARM CS(=O)(=O)NCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000244898978 525189049 /nfs/dbraw/zinc/18/90/49/525189049.db2.gz ZEWDNAJFHGSSHA-LBPRGKRZSA-N -1 0 326.374 -0.036 50 0 EBAARM CCn1cc(C(=O)N2CCO[C@@H](CN(CC(=O)[O-])C(C)=O)C2)cn1 ZINC000681944150 546317816 /nfs/dbraw/zinc/31/78/16/546317816.db2.gz UHVPUCIPTPDDLL-CYBMUJFWSA-N -1 0 338.364 -0.323 50 0 EBAARM CN(C)CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000888093486 582605032 /nfs/dbraw/zinc/60/50/32/582605032.db2.gz XYQMVPKTLXNLPR-UHFFFAOYSA-N -1 0 340.405 -0.163 50 0 EBAARM O=C([O-])[C@@H]1CC(=O)NC12CCN(C(=O)CCCn1cncn1)CC2 ZINC000219605515 803757693 /nfs/dbraw/zinc/75/76/93/803757693.db2.gz MXTKLCDEAFMGML-NSHDSACASA-N -1 0 335.364 -0.360 50 0 EBAARM COc1cc([C@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2)ccc1O ZINC000101761640 219161751 /nfs/dbraw/zinc/16/17/51/219161751.db2.gz JMASBAACCLJEPY-SECBINFHSA-N -1 0 346.343 -0.058 50 0 EBAARM O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000072158509 304085668 /nfs/dbraw/zinc/08/56/68/304085668.db2.gz ZWZFZNKOJLDDJU-QMMMGPOBSA-N -1 0 341.345 -0.280 50 0 EBAARM O=C([O-])[C@@]12CNC(=O)[C@@H]1CN(S(=O)(=O)c1c(F)cccc1F)C2 ZINC000072430883 216223576 /nfs/dbraw/zinc/22/35/76/216223576.db2.gz WMNCGJTWAVFTMB-WPPNPWJKSA-N -1 0 346.311 -0.214 50 0 EBAARM Cc1nnc(N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)s1 ZINC000096163492 376492527 /nfs/dbraw/zinc/49/25/27/376492527.db2.gz NFMCAQGUYMOXCX-LDYMZIIASA-N -1 0 332.407 -0.371 50 0 EBAARM O=c1[nH]c([O-])c(C2=C3C(=O)NC(=O)N[C@H]3Oc3ccccc32)c(=O)[nH]1 ZINC000005685304 377460337 /nfs/dbraw/zinc/46/03/37/377460337.db2.gz ZXVGHNUGEZIJAV-ZDUSSCGKSA-N -1 0 342.267 -0.179 50 0 EBAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)CCc1nc(Cl)n[nH]1 ZINC000220382738 378468175 /nfs/dbraw/zinc/46/81/75/378468175.db2.gz TXZNVIKKPGHPIP-SFYZADRCSA-N -1 0 332.744 -0.234 50 0 EBAARM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000225389857 378552214 /nfs/dbraw/zinc/55/22/14/378552214.db2.gz BOUAMDQFKPGODC-ZJUUUORDSA-N -1 0 331.394 -0.004 50 0 EBAARM Cc1ccc(-c2nnn(CC(=O)N3CCO[C@H](C(=O)[O-])C3)n2)cc1 ZINC000262169394 378563624 /nfs/dbraw/zinc/56/36/24/378563624.db2.gz WCJZAQGVUFMBAU-LBPRGKRZSA-N -1 0 331.332 -0.039 50 0 EBAARM C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)[O-])C[C@@H](C)O1 ZINC000011693947 211236946 /nfs/dbraw/zinc/23/69/46/211236946.db2.gz FEQKXEFBJPZHRK-HTQZYQBOSA-N -1 0 337.336 -0.879 50 0 EBAARM Cc1nc2ncnn2c(C)c1CCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000262534485 378851653 /nfs/dbraw/zinc/85/16/53/378851653.db2.gz TYNDFQMJFNYKIY-GFCCVEGCSA-N -1 0 333.348 -0.014 50 0 EBAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)CCn1cnnc1)CC2 ZINC000091635490 218037132 /nfs/dbraw/zinc/03/71/32/218037132.db2.gz DWZLMGWJJVXGJA-ZDUSSCGKSA-N -1 0 349.391 -0.018 50 0 EBAARM O=C(c1cc(=O)[n-]o1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 ZINC000091829926 218072888 /nfs/dbraw/zinc/07/28/88/218072888.db2.gz NLLICXLUYFBPBY-VXGBXAGGSA-N -1 0 325.365 -0.217 50 0 EBAARM CS(=O)(=O)N1C[C@@H]2CN(C(=O)c3ccoc3)C[C@]2(C(=O)[O-])C1 ZINC000092080893 218116961 /nfs/dbraw/zinc/11/69/61/218116961.db2.gz YBPSPKOSAFWGQM-GWCFXTLKSA-N -1 0 328.346 -0.302 50 0 EBAARM CNS(=O)(=O)CCN(Cc1ccccn1)C(=O)CCC(=O)[O-] ZINC000009341395 211071886 /nfs/dbraw/zinc/07/18/86/211071886.db2.gz UTXXEWRGUAIXRS-UHFFFAOYSA-N -1 0 329.378 -0.176 50 0 EBAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CCO1 ZINC000378166948 379833206 /nfs/dbraw/zinc/83/32/06/379833206.db2.gz DWSPTINZMXLTSA-AAEUAGOBSA-N -1 0 333.344 -0.258 50 0 EBAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@H]1NC(=O)NC1=O ZINC000042849195 380005288 /nfs/dbraw/zinc/00/52/88/380005288.db2.gz DVLBOJSAXDMCJQ-SSDOTTSWSA-N -1 0 335.345 -0.459 50 0 EBAARM CCC(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12 ZINC000007260684 210776032 /nfs/dbraw/zinc/77/60/32/210776032.db2.gz SOXAXJJPBJBMGR-BXKDBHETSA-N -1 0 328.346 -0.302 50 0 EBAARM COCCn1c(S[C@H](C)C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000004855237 210302086 /nfs/dbraw/zinc/30/20/86/210302086.db2.gz HLBKLRMRFXQJNK-ZCFIWIBFSA-N -1 0 328.350 -0.365 50 0 EBAARM O=C([O-])C1(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000262222656 154218240 /nfs/dbraw/zinc/21/82/40/154218240.db2.gz LQJNOAXFPMSDFD-UHFFFAOYSA-N -1 0 343.361 -0.487 50 0 EBAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(CCS(C)(=O)=O)CC2 ZINC000091818045 419026658 /nfs/dbraw/zinc/02/66/58/419026658.db2.gz SYAXYCYSZATNJP-GFCCVEGCSA-N -1 0 332.422 -0.181 50 0 EBAARM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652067378 419205115 /nfs/dbraw/zinc/20/51/15/419205115.db2.gz VWJHHTRUKPMTEA-LBPRGKRZSA-N -1 0 342.373 -0.200 50 0 EBAARM CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000299745097 563963737 /nfs/dbraw/zinc/96/37/37/563963737.db2.gz WEIAMAHPJGHZCF-GHMZBOCLSA-N -1 0 334.394 -0.640 50 0 EBAARM Cc1nnc(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)[O-])C2)o1 ZINC000091427209 649973073 /nfs/dbraw/zinc/97/30/73/649973073.db2.gz MQJVFPYCKKKFRL-CABZTGNLSA-N -1 0 330.366 -0.844 50 0 EBAARM N=c1nn[n-]n1CC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000952972871 654515406 /nfs/dbraw/zinc/51/54/06/654515406.db2.gz AIICCLQVXLUQGX-UHFFFAOYSA-N -1 0 328.336 -0.424 50 0 EBAARM CN1CCC[C@@]2(CCN(C(=O)CCc3n[n-]c(N)nc3=O)C2)C1=O ZINC000071315721 719403355 /nfs/dbraw/zinc/40/33/55/719403355.db2.gz LCNGSHCPZYGFFD-HNNXBMFYSA-N -1 0 334.380 -0.849 50 0 EBAARM O=c1[n-]c(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)n[nH]1 ZINC000067675817 215181666 /nfs/dbraw/zinc/18/16/66/215181666.db2.gz REXNJCPJNPBTRJ-QGZVFWFLSA-N -1 0 345.403 -0.216 50 0 EBAARM CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)[O-])c(=O)[nH]c1=O ZINC000002649913 209883978 /nfs/dbraw/zinc/88/39/78/209883978.db2.gz XKPYIHRFCCUGDT-UHFFFAOYSA-N -1 0 342.352 -0.627 50 0 EBAARM Cn1cnc(S(=O)(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)c1 ZINC000072435016 216228921 /nfs/dbraw/zinc/22/89/21/216228921.db2.gz LWSPGHXHCDMRLQ-UHFFFAOYSA-N -1 0 339.377 -0.119 50 0 EBAARM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)ccc1O ZINC000022148353 212280666 /nfs/dbraw/zinc/28/06/66/212280666.db2.gz HTVVNNURLMTEMX-ZETCQYMHSA-N -1 0 335.359 -0.444 50 0 EBAARM CCOC(=O)CC1=CSc2nnc(CCC(=O)[O-])c(=O)n2N1 ZINC000020272638 212115633 /nfs/dbraw/zinc/11/56/33/212115633.db2.gz QMBGGJXRKJJRIJ-UHFFFAOYSA-N -1 0 326.334 -0.082 50 0 EBAARM CC(=O)Nc1c(O)nc(SCC(=O)Nc2cc(C)on2)[n-]c1=O ZINC000002751203 375888276 /nfs/dbraw/zinc/88/82/76/375888276.db2.gz KHDWPIJTTJYGOZ-UHFFFAOYSA-N -1 0 339.333 -0.828 50 0 EBAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O ZINC000003142471 375890246 /nfs/dbraw/zinc/89/02/46/375890246.db2.gz ADTZLKSIEGUECW-UHFFFAOYSA-N -1 0 339.329 -0.041 50 0 EBAARM O=S(=O)([O-])[C@@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000004321483 375898331 /nfs/dbraw/zinc/89/83/31/375898331.db2.gz RIQPNCQGINNNBO-VHSXEESVSA-N -1 0 340.400 -0.486 50 0 EBAARM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000013460224 375970609 /nfs/dbraw/zinc/97/06/09/375970609.db2.gz HHFGIFIBXXYTSC-MUWHJKNJSA-N -1 0 328.302 -0.670 50 0 EBAARM NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000062132573 377160502 /nfs/dbraw/zinc/16/05/02/377160502.db2.gz JIZHVJUCQJJJBX-MRVPVSSYSA-N -1 0 334.375 -0.571 50 0 EBAARM Cn1c(=O)[nH]cc(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1=O ZINC000217137058 378420141 /nfs/dbraw/zinc/42/01/41/378420141.db2.gz UBDYLRHQPGWFKL-GFCCVEGCSA-N -1 0 331.328 -0.052 50 0 EBAARM Cc1nc2ncnn2c(C)c1CCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262534487 378850998 /nfs/dbraw/zinc/85/09/98/378850998.db2.gz TYNDFQMJFNYKIY-LBPRGKRZSA-N -1 0 333.348 -0.014 50 0 EBAARM Cc1cc(CN2CCN(CCC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)on1 ZINC000092037424 218107799 /nfs/dbraw/zinc/10/77/99/218107799.db2.gz IGXOTVYJSXIJHX-OLZOCXBDSA-N -1 0 343.405 -0.259 50 0 EBAARM CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)o1 ZINC000262907956 379002075 /nfs/dbraw/zinc/00/20/75/379002075.db2.gz RKVVKZYAQYMERQ-VIFPVBQESA-N -1 0 332.334 -0.578 50 0 EBAARM CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000042280682 379346002 /nfs/dbraw/zinc/34/60/02/379346002.db2.gz UJNAKJPJFSNJSP-MRVPVSSYSA-N -1 0 326.330 -0.156 50 0 EBAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C)C(=O)[O-] ZINC000012883806 379446427 /nfs/dbraw/zinc/44/64/27/379446427.db2.gz GGRJPPILYOBWSV-VFRUTBLMSA-N -1 0 346.405 -0.264 50 0 biogenic EBAARM C[C@@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)[O-] ZINC000002134024 379810654 /nfs/dbraw/zinc/81/06/54/379810654.db2.gz FHLRNMBOHDMUAS-FCURCUHSSA-N -1 0 345.348 -0.028 50 0 biogenic EBAARM Cc1c(O)ccc2c(CC(=O)NCC(=O)NCC(=O)[O-])cc(=O)oc12 ZINC000002098550 379778345 /nfs/dbraw/zinc/77/83/45/379778345.db2.gz WWZFMOLQNXRERY-UHFFFAOYSA-N -1 0 348.311 -0.333 50 0 biogenic EBAARM CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)Cc3cc(=O)[nH][n-]c3=O)[C@H]2C1 ZINC000299775070 380575216 /nfs/dbraw/zinc/57/52/16/380575216.db2.gz KWGVRSJOZOTNRX-BFQNTYOBSA-N -1 0 337.376 -0.209 50 0 EBAARM Cn1c(=O)ccn(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1=O ZINC000299742993 257932761 /nfs/dbraw/zinc/93/27/61/257932761.db2.gz LIZHATGDQSQZML-TUAOUCFPSA-N -1 0 335.360 -0.209 50 0 EBAARM Cn1ncnc1COc1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000261660243 154195958 /nfs/dbraw/zinc/19/59/58/154195958.db2.gz IZSBKRNVTXQNFT-UHFFFAOYSA-N -1 0 326.334 -0.243 50 0 EBAARM C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCC(=O)[O-])cc2)C1=O ZINC000061993531 297174199 /nfs/dbraw/zinc/17/41/99/297174199.db2.gz KMPDTIGNKGLQEQ-MRVPVSSYSA-N -1 0 326.330 -0.187 50 0 EBAARM Cc1cccc(=O)n1CCC(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-] ZINC000223088834 419248971 /nfs/dbraw/zinc/24/89/71/419248971.db2.gz QSFNIMYPDCGZPY-CHWSQXEVSA-N -1 0 338.360 -0.078 50 0 EBAARM COc1cc(S(=O)(=O)CCOS(=O)(=O)[O-])c(OC)cc1N ZINC000031374639 295014802 /nfs/dbraw/zinc/01/48/02/295014802.db2.gz YTIYUMNTOZTPCC-UHFFFAOYSA-N -1 0 341.363 -0.121 50 0 EBAARM C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCC(=O)[O-])cc2)C1=O ZINC000061993532 300382833 /nfs/dbraw/zinc/38/28/33/300382833.db2.gz KMPDTIGNKGLQEQ-QMMMGPOBSA-N -1 0 326.330 -0.187 50 0 EBAARM Cc1cc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])n(C)n1 ZINC000223794586 301399579 /nfs/dbraw/zinc/39/95/79/301399579.db2.gz HZYYXEMIXAWBNG-ZJUUUORDSA-N -1 0 333.366 -0.734 50 0 EBAARM CCN1C[C@@]2(C(=O)[O-])CN(S(=O)(=O)N3CCCCC3)C[C@H]2C1=O ZINC000072473290 719404329 /nfs/dbraw/zinc/40/43/29/719404329.db2.gz TZDRQZTXRJLKJM-SMDDNHRTSA-N -1 0 345.421 -0.418 50 0 EBAARM Cc1cc(C(=O)N2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)c(=O)n(C)c1C ZINC000072458579 719404580 /nfs/dbraw/zinc/40/45/80/719404580.db2.gz OLLABTOHRMFMSD-MEDUHNTESA-N -1 0 333.344 -0.725 50 0 EBAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C(=O)OC)cc3)c(=O)c1-2 ZINC000100166164 219093408 /nfs/dbraw/zinc/09/34/08/219093408.db2.gz QJGQQUSONIQTGS-WDEREUQCSA-N -1 0 345.311 -0.147 50 0 EBAARM O=C([O-])CN1c2ccccc2/C(=c2/sc3n(c2=O)CCN=3)C1=O ZINC000005553051 304067881 /nfs/dbraw/zinc/06/78/81/304067881.db2.gz IXBHTODGGVYLAH-QXMHVHEDSA-N -1 0 329.337 -0.827 50 0 EBAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)CCc1ccc(=O)[nH]n1 ZINC000223948867 304070409 /nfs/dbraw/zinc/07/04/09/304070409.db2.gz QZSXKPXLBKTBKV-GHMZBOCLSA-N -1 0 325.321 -0.923 50 0 EBAARM CS(=O)(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCc1cc(=O)[n-]o1 ZINC000219112433 241365675 /nfs/dbraw/zinc/36/56/75/241365675.db2.gz CKBLNBBLJCTRBY-GHORINQJSA-N -1 0 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/nfs/dbraw/zinc/46/37/84/377463784.db2.gz IKNMWYJVCPNDCD-WKEGUHRASA-N -1 0 327.318 -0.935 50 0 EBAARM NS(=O)(=O)c1ccc(CCNC(=O)CSCC(=O)[O-])cc1 ZINC000017068319 377526483 /nfs/dbraw/zinc/52/64/83/377526483.db2.gz AAKQPXFRASGMFJ-UHFFFAOYSA-N -1 0 332.403 -0.190 50 0 EBAARM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000225389968 378553490 /nfs/dbraw/zinc/55/34/90/378553490.db2.gz BOUAMDQFKPGODC-VHSXEESVSA-N -1 0 331.394 -0.004 50 0 EBAARM O=C([O-])[C@@H]1CC(=O)N(c2ccccc2C(=O)N2CCNC(=O)C2)C1 ZINC000065532966 379106996 /nfs/dbraw/zinc/10/69/96/379106996.db2.gz PVZIRDPKVZWDGI-SNVBAGLBSA-N -1 0 331.328 -0.304 50 0 EBAARM NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000013306758 379454039 /nfs/dbraw/zinc/45/40/39/379454039.db2.gz OKLXDZNYABUGCY-SECBINFHSA-N -1 0 348.402 -0.181 50 0 EBAARM CC1(C)O[C@H]2O[C@@H](C(=O)NCC(=O)[O-])[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000002134244 379810143 /nfs/dbraw/zinc/81/01/43/379810143.db2.gz GGSFFXKXAVNAID-VEOFNUSFSA-N -1 0 331.321 -0.416 50 0 biogenic EBAARM CO[C@H]1CC[C@@]2(OC)CCN(C(=O)Cc3cc(=O)[nH][n-]c3=O)[C@H]2C1 ZINC000299785618 380575298 /nfs/dbraw/zinc/57/52/98/380575298.db2.gz KWGVRSJOZOTNRX-MQIPJXDCSA-N -1 0 337.376 -0.209 50 0 EBAARM O=C([O-])CN(C(=O)Cn1nnc2ccccc2c1=O)C1CCOCC1 ZINC000299753323 258006620 /nfs/dbraw/zinc/00/66/20/258006620.db2.gz XUVIOECLCIGGSH-UHFFFAOYSA-N -1 0 346.343 -0.116 50 0 EBAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)CCn1cncn1)CC2 ZINC000299792366 258097457 /nfs/dbraw/zinc/09/74/57/258097457.db2.gz FDNQYJSKRLMRIM-NSHDSACASA-N -1 0 335.364 -0.408 50 0 EBAARM COCCCS(=O)(=O)N1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC000263446082 154257511 /nfs/dbraw/zinc/25/75/11/154257511.db2.gz YPOZKUVXSJCAHG-UHFFFAOYSA-N -1 0 344.393 -0.337 50 0 EBAARM CCOC(=O)c1c[n-]n(CC(=O)Nc2cnn(CCOC)c2)c1=N ZINC000100994489 419133518 /nfs/dbraw/zinc/13/35/18/419133518.db2.gz XKVPBQJTRPGZGB-UHFFFAOYSA-N -1 0 336.352 -0.046 50 0 EBAARM CN1CCc2n[nH]c(C(=O)N[C@@H]3COCC[C@@H]3OCC(=O)[O-])c2C1 ZINC000222861118 419248217 /nfs/dbraw/zinc/24/82/17/419248217.db2.gz HCCRMGZLIOINGS-NEPJUHHUSA-N -1 0 338.364 -0.614 50 0 EBAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)Cn2cc(C)cn2)CCO1 ZINC000681943641 546316897 /nfs/dbraw/zinc/31/68/97/546316897.db2.gz ZOCZUMHKENVJPG-CYBMUJFWSA-N -1 0 338.364 -0.648 50 0 EBAARM O=C([O-])[C@@]12CNC(=O)[C@@H]1CN(C(=O)CCc1[nH]nc3c1CCCC3)C2 ZINC000072411457 216204323 /nfs/dbraw/zinc/20/43/23/216204323.db2.gz BYXPQEARFITCAB-APPDUMDISA-N -1 0 346.387 -0.120 50 0 EBAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000042849197 375912386 /nfs/dbraw/zinc/91/23/86/375912386.db2.gz DVLBOJSAXDMCJQ-ZETCQYMHSA-N -1 0 335.345 -0.459 50 0 EBAARM CS(=O)(=O)N1C[C@H]2CN(Cc3nccs3)C[C@@]2(C(=O)[O-])C1 ZINC000096138571 376488907 /nfs/dbraw/zinc/48/89/07/376488907.db2.gz DJHAPOLUVXZNTO-BXKDBHETSA-N -1 0 331.419 -0.079 50 0 EBAARM Cn1cnnc1CN1C[C@H]2CN(C(=O)C3CCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096166358 376493170 /nfs/dbraw/zinc/49/31/70/376493170.db2.gz MPNHILKJERNBRM-LRDDRELGSA-N -1 0 333.392 -0.040 50 0 EBAARM CS(=O)(=O)N1C[C@@H]2CN(C(=O)C3CCOCC3)C[C@]2(C(=O)[O-])C1 ZINC000091350795 217996208 /nfs/dbraw/zinc/99/62/08/217996208.db2.gz HBUDKFWTIYMMLK-FZMZJTMJSA-N -1 0 346.405 -0.782 50 0 EBAARM COCC[C@]1(O)CCN(C(=O)Cc2cc(=O)[nH][n-]c2=O)C[C@H]1C ZINC000091587167 218027114 /nfs/dbraw/zinc/02/71/14/218027114.db2.gz GLNYFVWLMNLMMU-MEBBXXQBSA-N -1 0 325.365 -0.346 50 0 EBAARM COCC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000091934804 218091761 /nfs/dbraw/zinc/09/17/61/218091761.db2.gz BYPMHCZYCAPKMW-ZDUSSCGKSA-N -1 0 336.410 -0.233 50 0 EBAARM COc1c[nH]c(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cc1=O ZINC000091847894 218076056 /nfs/dbraw/zinc/07/60/56/218076056.db2.gz YSEGPSRNIPWYHG-LLVKDONJSA-N -1 0 335.360 -0.061 50 0 EBAARM CNC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C(N)=O)cc1 ZINC000095468038 379504714 /nfs/dbraw/zinc/50/47/14/379504714.db2.gz DPZUKFZIWVAIRK-UHFFFAOYSA-N -1 0 337.361 -0.023 50 0 EBAARM [NH3+]CC(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000002126038 379805522 /nfs/dbraw/zinc/80/55/22/379805522.db2.gz XSENZDPYJYTWNF-AWEZNQCLSA-N -1 0 333.388 -0.004 50 0 biogenic EBAARM CC(C)C[C@H](NC(=O)[C@@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C)C(=O)[O-] ZINC000035807190 381197593 /nfs/dbraw/zinc/19/75/93/381197593.db2.gz MSFWLSGJKZIQDC-LSJOCFKGSA-N -1 0 346.405 -0.264 50 0 EBAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C(=O)OC)cc3)c(=O)c1-2 ZINC000004893448 210315147 /nfs/dbraw/zinc/31/51/47/210315147.db2.gz JGWQYRVRRNMSLB-VHSXEESVSA-N -1 0 331.284 -0.537 50 0 EBAARM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)Nc1nncs1 ZINC000101186937 419172852 /nfs/dbraw/zinc/17/28/52/419172852.db2.gz FXBMMXGHUYVYHJ-SFYZADRCSA-N -1 0 343.390 -0.502 50 0 EBAARM Cn1c([O-])c(C2=NN[C@@H](c3ccc4c(c3)OCO4)C2)c(=O)[nH]c1=O ZINC000101763657 419176117 /nfs/dbraw/zinc/17/61/17/419176117.db2.gz AQGXYPVGMNEKOM-MRVPVSSYSA-N -1 0 330.300 -0.053 50 0 EBAARM C[C@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)[O-])C[C@H](C)O1 ZINC000011693950 300301797 /nfs/dbraw/zinc/30/17/97/300301797.db2.gz FEQKXEFBJPZHRK-YUMQZZPRSA-N -1 0 337.336 -0.879 50 0 EBAARM Cn1nc(CC(=O)N2CCOC[C@H]2C(=O)[O-])c2ccccc2c1=O ZINC000262528724 303043817 /nfs/dbraw/zinc/04/38/17/303043817.db2.gz SCHZLEJASPDENG-ZDUSSCGKSA-N -1 0 331.328 -0.212 50 0 EBAARM CC1=NN(CC(=O)N2CCN(Cc3ncc[nH]3)C[C@@H](C(=O)[O-])C2)CC1 ZINC000217787022 535253112 /nfs/dbraw/zinc/25/31/12/535253112.db2.gz UHOSMLWIFBEHID-CYBMUJFWSA-N -1 0 348.407 -0.164 50 0 EBAARM O=C(NCCNc1cnccn1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000052578898 214135043 /nfs/dbraw/zinc/13/50/43/214135043.db2.gz MZNRTWPRDDVZGA-UHFFFAOYSA-N -1 0 327.304 -0.344 50 0 EBAARM O=C([O-])CN1CCN(C(=O)N2CCCCC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077407184 304067641 /nfs/dbraw/zinc/06/76/41/304067641.db2.gz FJAFGEVNUDZNQR-NEPJUHHUSA-N -1 0 345.421 -0.540 50 0 EBAARM Cc1cc(=O)n(CC(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])nc1C ZINC000218208716 241305432 /nfs/dbraw/zinc/30/54/32/241305432.db2.gz PDAFCQJSDQTHPM-VXGBXAGGSA-N -1 0 339.348 -0.765 50 0 EBAARM O=C([O-])[C@@H]1CN(Cc2cn[nH]n2)CCN(C(=O)Cc2ccncc2)C1 ZINC000097099479 304132823 /nfs/dbraw/zinc/13/28/23/304132823.db2.gz QREBKOPAAQJJRO-CYBMUJFWSA-N -1 0 344.375 -0.213 50 0 EBAARM Cn1cc([C@@H](NC(=O)CCc2nnc(N)[n-]c2=O)[C@H]2C[C@@H](O)C2)cn1 ZINC000253535816 244010359 /nfs/dbraw/zinc/01/03/59/244010359.db2.gz SHFMZEVOYDXUMD-PLMOITTCSA-N -1 0 347.379 -0.546 50 0 EBAARM CCS(=O)(=O)N1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC000020320586 212118695 /nfs/dbraw/zinc/11/86/95/212118695.db2.gz NKAQAEXRFOQVPZ-UHFFFAOYSA-N -1 0 330.366 -0.925 50 0 EBAARM NC(=O)CC[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-] ZINC000013655272 211599837 /nfs/dbraw/zinc/59/98/37/211599837.db2.gz APFMGTXHBDJJMV-JTQLQIEISA-N -1 0 332.316 -0.700 50 0 EBAARM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000013460226 375971910 /nfs/dbraw/zinc/97/19/10/375971910.db2.gz HHFGIFIBXXYTSC-RCOVLWMOSA-N -1 0 328.302 -0.670 50 0 EBAARM COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000033327150 376408090 /nfs/dbraw/zinc/40/80/90/376408090.db2.gz YOHIDKWFDHPIEY-UHFFFAOYSA-N -1 0 339.329 -0.041 50 0 EBAARM COCCNC(=O)c1ccc(NC(=O)NCCc2n[nH]c(=O)[n-]2)cc1 ZINC000096180679 376491407 /nfs/dbraw/zinc/49/14/07/376491407.db2.gz MUQLVQDRJARIRX-UHFFFAOYSA-N -1 0 348.363 -0.162 50 0 EBAARM CC(=O)Nc1c(O)nc(SCC(=O)NCc2ccccc2)[n-]c1=O ZINC000000110245 376612166 /nfs/dbraw/zinc/61/21/66/376612166.db2.gz KIRUWFGTSPCTNY-UHFFFAOYSA-N -1 0 348.384 -0.447 50 0 EBAARM CCOC(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000000259752 376656336 /nfs/dbraw/zinc/65/63/36/376656336.db2.gz QIEIJYNJKOIPEH-UHFFFAOYSA-N -1 0 349.409 -0.198 50 0 EBAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[nH]c1=O ZINC000005329136 377154385 /nfs/dbraw/zinc/15/43/85/377154385.db2.gz PLWCVGJOOHELHZ-UHFFFAOYSA-N -1 0 325.302 -0.349 50 0 EBAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCOC[C@H]1O ZINC000220270296 378465194 /nfs/dbraw/zinc/46/51/94/378465194.db2.gz BILWLEUSQROAIY-NXEZZACHSA-N -1 0 331.346 -0.179 50 0 EBAARM Cc1noc(CN2CCN(CCC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)n1 ZINC000092099554 218119519 /nfs/dbraw/zinc/11/95/19/218119519.db2.gz UWOFNHIWBKLPKV-MNOVXSKESA-N -1 0 344.393 -0.864 50 0 EBAARM CNS(=O)(=O)CCN(Cc1cccnc1)C(=O)CCC(=O)[O-] ZINC000009060907 211036420 /nfs/dbraw/zinc/03/64/20/211036420.db2.gz AEXNZCOJENNFGY-UHFFFAOYSA-N -1 0 329.378 -0.176 50 0 EBAARM CC(=O)NC1C(=O)N=C(SCC(=O)N2CCOCC2)N=C1[O-] ZINC000009057519 211036233 /nfs/dbraw/zinc/03/62/33/211036233.db2.gz OMMDHOKQTOEODH-UHFFFAOYSA-N -1 0 328.350 -0.203 50 0 EBAARM COc1ccc(C(=O)CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)cc1 ZINC000095479817 379505706 /nfs/dbraw/zinc/50/57/06/379505706.db2.gz SDLZJMWLAOVNKC-UHFFFAOYSA-N -1 0 332.316 -0.189 50 0 EBAARM C[C@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)[O-] ZINC000002134022 379810701 /nfs/dbraw/zinc/81/07/01/379810701.db2.gz FHLRNMBOHDMUAS-XPUCRGHOSA-N -1 0 345.348 -0.028 50 0 biogenic EBAARM C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1)C(=O)[O-] ZINC000016650818 380956613 /nfs/dbraw/zinc/95/66/13/380956613.db2.gz KJJRHGIRWHIGNG-QMMMGPOBSA-N -1 0 348.402 -0.028 50 0 EBAARM CC1CCC(NS(=O)(=O)CC(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000299753228 258006607 /nfs/dbraw/zinc/00/66/07/258006607.db2.gz XIYOODPUUOJDAK-HTAVTVPLSA-N -1 0 348.421 -0.204 50 0 EBAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCNC1=O ZINC000315206337 155175029 /nfs/dbraw/zinc/17/50/29/155175029.db2.gz FCHOWTSRLIQUPE-VIFPVBQESA-N -1 0 328.346 -0.050 50 0 EBAARM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2cccnc2)CCO1 ZINC000681942855 546316799 /nfs/dbraw/zinc/31/67/99/546316799.db2.gz FTBCZDHMYMKMIF-AWEZNQCLSA-N -1 0 335.360 -0.215 50 0 EBAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H](C)n2cccn2)CCO1 ZINC000681943350 546316810 /nfs/dbraw/zinc/31/68/10/546316810.db2.gz LXALEZWFXYGXMM-DGCLKSJQSA-N -1 0 338.364 -0.395 50 0 EBAARM CCn1cc(C(=O)N2CCO[C@H](CN(CC(=O)[O-])C(C)=O)C2)cn1 ZINC000681944151 546318376 /nfs/dbraw/zinc/31/83/76/546318376.db2.gz UHVPUCIPTPDDLL-ZDUSSCGKSA-N -1 0 338.364 -0.323 50 0 EBAARM O=C(CNC(=O)NCc1ccco1)[N-]S(=O)(=O)N1CCCC1 ZINC000052771202 214144466 /nfs/dbraw/zinc/14/44/66/214144466.db2.gz IIDYYOFIVDLXJD-UHFFFAOYSA-N -1 0 330.366 -0.464 50 0 EBAARM Cn1c([O-])c(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c(=O)n(C)c1=O ZINC000103502023 219307890 /nfs/dbraw/zinc/30/78/90/219307890.db2.gz ZSNMDAHVRKREDF-LURJTMIESA-N -1 0 349.265 -0.367 50 0 EBAARM O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)NCc1nnn[n-]1 ZINC000072145391 216031959 /nfs/dbraw/zinc/03/19/59/216031959.db2.gz NVAGJPRAWDPHAC-LBPRGKRZSA-N -1 0 347.354 -0.654 50 0 EBAARM Cc1nnnn1-c1ccc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000072427884 216218828 /nfs/dbraw/zinc/21/88/28/216218828.db2.gz QWWWOUAONAIWIQ-CYBMUJFWSA-N -1 0 331.332 -0.175 50 0 EBAARM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000215912416 241152963 /nfs/dbraw/zinc/15/29/63/241152963.db2.gz GTFAXGDJYCXXFA-ZDUSSCGKSA-N -1 0 343.339 -0.048 50 0 EBAARM NC(=O)c1cccnc1N1CCN(Cc2cn[nH]n2)C[C@@H](C(=O)[O-])C1 ZINC000217196024 241240574 /nfs/dbraw/zinc/24/05/74/241240574.db2.gz GCPMOLHCJQZZEG-SNVBAGLBSA-N -1 0 345.363 -0.678 50 0 EBAARM O=C([O-])CN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CNC(=O)C1)CC2 ZINC000091364617 376444192 /nfs/dbraw/zinc/44/41/92/376444192.db2.gz UVLVLBLYSPFKSI-NSHDSACASA-N -1 0 337.376 -0.562 50 0 EBAARM O=C([O-])C[C@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)CCO1 ZINC000362812914 376772869 /nfs/dbraw/zinc/77/28/69/376772869.db2.gz JUHTVHGKUQTJQN-JTQLQIEISA-N -1 0 332.316 -0.506 50 0 EBAARM O=C([O-])[C@H]1COCCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000268971565 377066273 /nfs/dbraw/zinc/06/62/73/377066273.db2.gz GYFOBQWQZOLBDC-GFCCVEGCSA-N -1 0 347.327 -0.196 50 0 EBAARM COCC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCN(C)CC2)C1 ZINC000091646033 218039480 /nfs/dbraw/zinc/03/94/80/218039480.db2.gz KCRQRYFAJZIZLQ-CQSZACIVSA-N -1 0 349.453 -0.318 50 0 EBAARM CCc1noc(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)[O-])C2)n1 ZINC000091807375 218068995 /nfs/dbraw/zinc/06/89/95/218068995.db2.gz JEBYFKHMXLJZTC-ZANVPECISA-N -1 0 344.393 -0.590 50 0 EBAARM O=C([O-])CCN1CCN(Cc2cccnc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000092001732 218101888 /nfs/dbraw/zinc/10/18/88/218101888.db2.gz QWKIJBUEMFIGDT-KGLIPLIRSA-N -1 0 339.417 -0.161 50 0 EBAARM O=C(CN1C(=O)CNC1=O)N[C@]1(C(=O)[O-])CCCc2ccccc21 ZINC000095372723 218304846 /nfs/dbraw/zinc/30/48/46/218304846.db2.gz JSOZSMUHYFNTCU-MRXNPFEDSA-N -1 0 331.328 -0.029 50 0 EBAARM CS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000299745099 257932723 /nfs/dbraw/zinc/93/27/23/257932723.db2.gz WEIAMAHPJGHZCF-QWRGUYRKSA-N -1 0 334.394 -0.640 50 0 EBAARM CS(=O)(=O)N1CCCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000298393761 258011471 /nfs/dbraw/zinc/01/14/71/258011471.db2.gz OCLAQFNEWAONLD-UHFFFAOYSA-N -1 0 327.362 -0.113 50 0 EBAARM Cn1cc([C@@H]2CN(C(=O)CCCn3cncn3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299787417 258094406 /nfs/dbraw/zinc/09/44/06/258094406.db2.gz LNQFIYNNINDMSO-NWDGAFQWSA-N -1 0 347.379 -0.096 50 0 EBAARM CN(C)S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])co1 ZINC000262103123 154212846 /nfs/dbraw/zinc/21/28/46/154212846.db2.gz HTDWMDVAKQPGEK-SECBINFHSA-N -1 0 332.334 -0.545 50 0 EBAARM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1cnn2ccccc12 ZINC000647743014 419246224 /nfs/dbraw/zinc/24/62/24/419246224.db2.gz TXTFIXDHCAAXHX-LBPRGKRZSA-N -1 0 337.357 -0.413 50 0 EBAARM CS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000299745100 420939943 /nfs/dbraw/zinc/93/99/43/420939943.db2.gz WEIAMAHPJGHZCF-WDEREUQCSA-N -1 0 334.394 -0.640 50 0 EBAARM NC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1cc(=O)[nH][n-]c1=O ZINC000220396603 303336730 /nfs/dbraw/zinc/33/67/30/303336730.db2.gz BEQDXEZJJVODGZ-GFCCVEGCSA-N -1 0 328.328 -0.956 50 0 EBAARM O=C([O-])[C@H]1CN(Cc2ncc[nH]2)CCN(C(=O)Cn2cncn2)C1 ZINC000097758068 219054898 /nfs/dbraw/zinc/05/48/98/219054898.db2.gz MYSKYRHELUTYFX-NSHDSACASA-N -1 0 333.352 -0.954 50 0 EBAARM CCN1CCN(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)C(=O)C1=O ZINC000004556304 210220320 /nfs/dbraw/zinc/22/03/20/210220320.db2.gz IPARGUVYMOMVNU-NSHDSACASA-N -1 0 335.316 -0.082 50 0 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Cc1nc2ncccn2c1C(=O)N1C[C@H]2C(=O)NC[C@@]2(C(=O)[O-])C1 ZINC000072409766 216200734 /nfs/dbraw/zinc/20/07/34/216200734.db2.gz GJQXQTVHHYMXAO-BJOHPYRUSA-N -1 0 329.316 -0.689 50 0 EBAARM NS(=O)(=O)CCOCC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000241923265 243004692 /nfs/dbraw/zinc/00/46/92/243004692.db2.gz UEKPYYPRCCNHBQ-UHFFFAOYSA-N -1 0 344.361 -0.452 50 0 EBAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)CC1CCS(=O)(=O)CC1 ZINC000096140291 304150611 /nfs/dbraw/zinc/15/06/11/304150611.db2.gz KZLIYCZISITLBB-LBPRGKRZSA-N -1 0 341.389 -0.038 50 0 EBAARM O=S(=O)([O-])[C@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000002923601 375888014 /nfs/dbraw/zinc/88/80/14/375888014.db2.gz RIQPNCQGINNNBO-ZJUUUORDSA-N -1 0 340.400 -0.486 50 0 EBAARM CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000042279281 375906633 /nfs/dbraw/zinc/90/66/33/375906633.db2.gz JIBHQJUGDBDTFP-SECBINFHSA-N -1 0 340.357 -0.114 50 0 EBAARM Cn1c2nc(Br)n(CCC(=O)[O-])c2c(=O)n(C)c1=O ZINC000000390397 375870036 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50 0 EBAARM O=C([O-])CCN1CCN(C(=O)C2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091526148 218016616 /nfs/dbraw/zinc/01/66/16/218016616.db2.gz IZDNFULSGMZRDL-OLZOCXBDSA-N -1 0 344.433 -0.039 50 0 EBAARM COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(OC)c1 ZINC000225663003 379145176 /nfs/dbraw/zinc/14/51/76/379145176.db2.gz ZLAPLOGIGRAOAW-QMMMGPOBSA-N -1 0 333.318 -0.794 50 0 EBAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(S(=O)(=O)c1cn[nH]c1)CC2 ZINC000095352597 218287492 /nfs/dbraw/zinc/28/74/92/218287492.db2.gz YPLTZIFOSRXGTL-SNVBAGLBSA-N -1 0 342.377 -0.504 50 0 EBAARM CS(=O)(=O)NCC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000426510086 257965847 /nfs/dbraw/zinc/96/58/47/257965847.db2.gz JPNLEXMBFQXZPR-CQSZACIVSA-N -1 0 326.374 -0.210 50 0 EBAARM CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000408513447 257984849 /nfs/dbraw/zinc/98/48/49/257984849.db2.gz KEGOIGVZVBOANN-QWHCGFSZSA-N -1 0 341.385 -0.046 50 0 EBAARM CNS(=O)(=O)c1csc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000262842097 154248996 /nfs/dbraw/zinc/24/89/96/154248996.db2.gz ZZAJGADPZQJNPF-QMMMGPOBSA-N -1 0 334.375 -0.418 50 0 EBAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000096297344 420938415 /nfs/dbraw/zinc/93/84/15/420938415.db2.gz RJRDKSHVBAXIAA-YPMHNXCESA-N -1 0 345.311 -0.056 50 0 EBAARM Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-] ZINC000222776654 302398168 /nfs/dbraw/zinc/39/81/68/302398168.db2.gz RRSLPKCFGCOHPF-NXEZZACHSA-N -1 0 333.366 -0.734 50 0 EBAARM CN1C(=O)C[C@H](CNC(=O)Cc2cc(=O)[nH][n-]c2=O)c2ccccc21 ZINC000215254694 536317493 /nfs/dbraw/zinc/31/74/93/536317493.db2.gz ZMMWIEXEYVYLJQ-LLVKDONJSA-N -1 0 342.355 -0.128 50 0 EBAARM Cn1c(=O)cc(NC2=C([O-])N(c3ccc(F)cc3)C(=O)C2)n(C)c1=O ZINC000002826563 649932471 /nfs/dbraw/zinc/93/24/71/649932471.db2.gz OCUOFQAVLJIPOJ-LLVKDONJSA-N -1 0 346.318 -0.033 50 0 EBAARM Cc1cnc(C)c(N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)n1 ZINC000065404921 719401573 /nfs/dbraw/zinc/40/15/73/719401573.db2.gz FEZHUWRQLSOGHU-BXUZGUMPSA-N -1 0 340.405 -0.124 50 0 EBAARM Cc1nnc(N2CCN(C(=O)C3(CO)CC3)C[C@@H](C(=O)[O-])C2)s1 ZINC000097797270 219057509 /nfs/dbraw/zinc/05/75/09/219057509.db2.gz QYDMFIKBADNUIO-SNVBAGLBSA-N -1 0 340.405 -0.032 50 0 EBAARM CNc1ccnc(N2CCN(C(=O)c3ncc[nH]3)C[C@H](C(=O)[O-])C2)n1 ZINC000097831073 219058834 /nfs/dbraw/zinc/05/88/34/219058834.db2.gz NXZRLXAVPKVUOK-JTQLQIEISA-N -1 0 345.363 -0.095 50 0 EBAARM C[C@@]1(c2ccc(S(=O)(=O)NCC(=O)[O-])cc2)NC(=O)NC1=O ZINC000003355869 210016190 /nfs/dbraw/zinc/01/61/90/210016190.db2.gz BKYCTWNCTGISME-LBPRGKRZSA-N -1 0 327.318 -0.896 50 0 EBAARM NC(=O)CC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002561184 209867653 /nfs/dbraw/zinc/86/76/53/209867653.db2.gz BYMPQNRKDGXXFG-NSHDSACASA-N -1 0 337.332 -0.252 50 0 EBAARM CCOCCn1c(SCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000001836585 209798909 /nfs/dbraw/zinc/79/89/09/209798909.db2.gz ZOAWFJZESNDILR-UHFFFAOYSA-N -1 0 328.350 -0.364 50 0 EBAARM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000072158510 304079015 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50 0 EBAARM COCC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCN(C)CC2)C1 ZINC000091646032 218040318 /nfs/dbraw/zinc/04/03/18/218040318.db2.gz KCRQRYFAJZIZLQ-AWEZNQCLSA-N -1 0 349.453 -0.318 50 0 EBAARM Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCOC[C@H]1C(=O)[O-])C2=O ZINC000262558201 378867966 /nfs/dbraw/zinc/86/79/66/378867966.db2.gz YUKOYMLNYFCBTD-LBPRGKRZSA-N -1 0 332.312 -0.097 50 0 EBAARM COCC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000091934801 218091591 /nfs/dbraw/zinc/09/15/91/218091591.db2.gz BYPMHCZYCAPKMW-CYBMUJFWSA-N -1 0 336.410 -0.233 50 0 EBAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000262622169 378982598 /nfs/dbraw/zinc/98/25/98/378982598.db2.gz NBCGZPBBTDJXHY-WHOHXGKFSA-N -1 0 331.390 -0.098 50 0 EBAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000244734637 378997649 /nfs/dbraw/zinc/99/76/49/378997649.db2.gz NJHOZTCSKSHGPU-ISOBSLSZSA-N -1 0 330.344 -0.371 50 0 EBAARM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2ccccn2c1=O ZINC000170619549 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346.343 -0.058 50 0 EBAARM O=C([O-])[C@@H]1CN(Cc2ncc[nH]2)CCN(C(=O)Cn2cncn2)C1 ZINC000097758067 304132660 /nfs/dbraw/zinc/13/26/60/304132660.db2.gz MYSKYRHELUTYFX-LLVKDONJSA-N -1 0 333.352 -0.954 50 0 EBAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000020614927 212156283 /nfs/dbraw/zinc/15/62/83/212156283.db2.gz OIUMYGQPXFTEDG-NSHDSACASA-N -1 0 336.348 -0.418 50 0 EBAARM CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C)C(=O)[O-] ZINC000035807166 375926090 /nfs/dbraw/zinc/92/60/90/375926090.db2.gz GGRJPPILYOBWSV-DMLMCSCLSA-N -1 0 346.405 -0.264 50 0 EBAARM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1OC ZINC000013028650 211515694 /nfs/dbraw/zinc/51/56/94/211515694.db2.gz FTTDEYFIATVGQF-SCZZXKLOSA-N -1 0 331.346 -0.088 50 0 EBAARM O=C(NCc1cccnc1N1CCC[C@H](O)C1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000067688439 376248701 /nfs/dbraw/zinc/24/87/01/376248701.db2.gz OVNONVKCNQPBGO-NSHDSACASA-N -1 0 345.359 -0.651 50 0 EBAARM 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CC1CCC(NS(=O)(=O)CC(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC000299753229 281758625 /nfs/dbraw/zinc/75/86/25/281758625.db2.gz XIYOODPUUOJDAK-MCIGGMRASA-N -1 0 348.421 -0.204 50 0 EBAARM CN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000268943180 289468787 /nfs/dbraw/zinc/46/87/87/289468787.db2.gz LGZWCIJJEYJYQA-GFCCVEGCSA-N -1 0 326.374 -0.084 50 0 EBAARM CS(=O)(=O)NCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000219601565 803757322 /nfs/dbraw/zinc/75/73/22/803757322.db2.gz UHGBHHMPGNDEIO-NWDGAFQWSA-N -1 0 326.374 -0.138 50 0 EBAARM COc1ccc([C@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2)cc1O ZINC000101761686 219161636 /nfs/dbraw/zinc/16/16/36/219161636.db2.gz VODCJJTWAHTJGJ-SECBINFHSA-N -1 0 346.343 -0.058 50 0 EBAARM O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCc1nnn[n-]1 ZINC000072143396 216028684 /nfs/dbraw/zinc/02/86/84/216028684.db2.gz XMTBCMJRDYFNOZ-SNVBAGLBSA-N -1 0 335.393 -0.732 50 0 EBAARM O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCc1nnn[n-]1 ZINC000072145392 216032740 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ZINC000262684383 376793645 /nfs/dbraw/zinc/79/36/45/376793645.db2.gz CRKSRIGFADEAOX-ZETCQYMHSA-N -1 0 346.137 -0.213 50 0 EBAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000262622168 377045890 /nfs/dbraw/zinc/04/58/90/377045890.db2.gz NBCGZPBBTDJXHY-NOOOWODRSA-N -1 0 331.390 -0.098 50 0 EBAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000091707399 218050849 /nfs/dbraw/zinc/05/08/49/218050849.db2.gz NPNULJIDXWQMJO-QMMMGPOBSA-N -1 0 349.372 -0.069 50 0 EBAARM O=C([O-])[C@@H]1CC(=O)NC12CCN(C(=O)CCc1cnccn1)CC2 ZINC000091645997 218040147 /nfs/dbraw/zinc/04/01/47/218040147.db2.gz QIWHGSGUSOINDX-LBPRGKRZSA-N -1 0 332.360 -0.009 50 0 EBAARM O=C([O-])CCN1CCN(C(=O)c2ccoc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091651572 218040693 /nfs/dbraw/zinc/04/06/93/218040693.db2.gz XQYGWLGHSBFIEI-NEPJUHHUSA-N -1 0 342.373 -0.322 50 0 EBAARM Nc1nnc(SCc2c(C(=O)[O-])nnn2-c2nonc2N)s1 ZINC000021147039 379522068 /nfs/dbraw/zinc/52/20/68/379522068.db2.gz WDEVHJWLOQODBH-UHFFFAOYSA-N -1 0 341.338 -0.343 50 0 EBAARM CC1(C)O[C@H]2O[C@H](C(=O)NCC(=O)[O-])[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000002134242 379809301 /nfs/dbraw/zinc/80/93/01/379809301.db2.gz GGSFFXKXAVNAID-KZFLBEFCSA-N -1 0 331.321 -0.416 50 0 biogenic EBAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NCC(=O)NCC(=O)[O-] ZINC000002154347 379823342 /nfs/dbraw/zinc/82/33/42/379823342.db2.gz GKIPXLVEEIQFHZ-UHFFFAOYSA-N -1 0 348.311 -0.333 50 0 biogenic EBAARM CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C)C(=O)[O-] ZINC000035807186 381782626 /nfs/dbraw/zinc/78/26/26/381782626.db2.gz MSFWLSGJKZIQDC-INTQDDNPSA-N -1 0 346.405 -0.264 50 0 EBAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(C(C)=O)ccc3OC)c(=O)c1-2 ZINC000004889393 210312558 /nfs/dbraw/zinc/31/25/58/210312558.db2.gz FLIQIBZLDYQWRX-NWDGAFQWSA-N -1 0 345.311 -0.112 50 0 EBAARM Cc1cccc(=O)n1CCC(=O)N1CCc2c([n-]n(CCO)c2=O)C1 ZINC000097360084 219014662 /nfs/dbraw/zinc/01/46/62/219014662.db2.gz KNKRVVYOFOQLHV-UHFFFAOYSA-N -1 0 346.387 -0.386 50 0 EBAARM NC(=O)c1cccnc1N1CCN(Cc2cn[nH]n2)C[C@H](C(=O)[O-])C1 ZINC000097547853 219034553 /nfs/dbraw/zinc/03/45/53/219034553.db2.gz GCPMOLHCJQZZEG-JTQLQIEISA-N -1 0 345.363 -0.678 50 0 EBAARM C[C@@](O)(CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-] ZINC000262458608 154231564 /nfs/dbraw/zinc/23/15/64/154231564.db2.gz XDGQXCPJLPRMOP-XHDPSFHLSA-N -1 0 327.381 -0.134 50 0 EBAARM O=C([O-])[C@@H]1COCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262500244 154234863 /nfs/dbraw/zinc/23/48/63/154234863.db2.gz NKKYKVSEKJUFDF-NSHDSACASA-N -1 0 333.300 -0.586 50 0 EBAARM CC[C@@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C)C(=O)[O-] ZINC000004085308 286806664 /nfs/dbraw/zinc/80/66/64/286806664.db2.gz GGRJPPILYOBWSV-SNXWAXQRSA-N -1 0 346.405 -0.264 50 0 biogenic EBAARM CC1=NN(CC(=O)N2CCN(Cc3ncc[nH]3)C[C@H](C(=O)[O-])C2)CC1 ZINC000097759360 419042847 /nfs/dbraw/zinc/04/28/47/419042847.db2.gz UHOSMLWIFBEHID-ZDUSSCGKSA-N -1 0 348.407 -0.164 50 0 EBAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCOC[C@H]1O ZINC000222316432 419247257 /nfs/dbraw/zinc/24/72/57/419247257.db2.gz ZWYXQRQQZVSNRY-GHMZBOCLSA-N -1 0 345.373 -0.250 50 0 EBAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n1 ZINC000373040984 421291445 /nfs/dbraw/zinc/29/14/45/421291445.db2.gz XKYAGPYWZLCYCB-NSHDSACASA-N -1 0 343.343 0.350 50 0 EBAARM C[C@@H]1C[C@@H](CC(=O)N2CCn3nc(C(=O)[O-])cc3C2)NC(=S)N1 ZINC000065424408 297246955 /nfs/dbraw/zinc/24/69/55/297246955.db2.gz FMQBZPUQUUEHCT-BDAKNGLRSA-N -1 0 337.405 -0.062 50 0 EBAARM Nc1n[nH]c(CCC(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)n1 ZINC000072408499 649969408 /nfs/dbraw/zinc/96/94/08/649969408.db2.gz FGBKERUESFZFQG-UHFFFAOYSA-N -1 0 347.379 -0.034 50 0 EBAARM CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000097660567 219045608 /nfs/dbraw/zinc/04/56/08/219045608.db2.gz FDQISMXNNMIWOP-QMMMGPOBSA-N -1 0 348.402 -0.164 50 0 EBAARM N[C@H]1C(=O)N2C(C(=O)[O-])=C(CN3C=CN4NC=CC=C34)CS[C@@H]12 ZINC000098092071 219083231 /nfs/dbraw/zinc/08/32/31/219083231.db2.gz NDXTUUKQLANBAV-GWCFXTLKSA-N -1 0 333.373 -0.470 50 0 EBAARM Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@@H]12 ZINC000039566020 213240731 /nfs/dbraw/zinc/24/07/31/213240731.db2.gz KMYWVDDIPVNLME-GAWUUDPSSA-N -1 0 329.209 -0.817 50 0 endogenous,in-man EBAARM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)N1CCOc2ccccc21 ZINC000069626106 215505414 /nfs/dbraw/zinc/50/54/14/215505414.db2.gz VOGLITLAQOCLJP-SECBINFHSA-N -1 0 327.362 -0.229 50 0 EBAARM O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCN(CCO)CC3)C2=O)cc1 ZINC000022781335 212323992 /nfs/dbraw/zinc/32/39/92/212323992.db2.gz UFXBLOYDZAZJGL-CQSZACIVSA-N -1 0 347.371 -0.373 50 0 EBAARM CCC1=C(C(=O)OC)Sc2nnc(CCC(=O)[O-])c(=O)n2N1 ZINC000019689546 212055972 /nfs/dbraw/zinc/05/59/72/212055972.db2.gz RGTBIHYRGXSXSA-VIFPVBQESA-N -1 0 326.334 -0.083 50 0 EBAARM O=S(=O)([O-])[C@H]1CCS(=O)(=O)[C@H]1S(=O)(=O)c1ccccc1 ZINC000004952664 375901566 /nfs/dbraw/zinc/90/15/66/375901566.db2.gz HXIGAYUWPITFQG-UWVGGRQHSA-N -1 0 340.400 -0.139 50 0 EBAARM CNC(=O)c1cccc(N2CCN(C(=O)N(C)C)C[C@@H](C(=O)[O-])C2)n1 ZINC000097634989 376518247 /nfs/dbraw/zinc/51/82/47/376518247.db2.gz PUKQFDLPQKPEBE-NSHDSACASA-N -1 0 349.391 -0.054 50 0 EBAARM NC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013251491 377465431 /nfs/dbraw/zinc/46/54/31/377465431.db2.gz ZSUTYZBTUQJSKL-LHLIQPBNSA-N -1 0 332.309 -0.867 50 0 EBAARM COc1ccc(CNC(=O)CS(=O)(=O)CC(=O)[O-])cc1OC ZINC000002561445 377472892 /nfs/dbraw/zinc/47/28/92/377472892.db2.gz VJSGDCYNMNQDFU-UHFFFAOYSA-N -1 0 331.346 -0.181 50 0 EBAARM O=C([O-])[C@@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)CCO1 ZINC000583650621 419156245 /nfs/dbraw/zinc/15/62/45/419156245.db2.gz RNZBNOSENHAQAX-LBPRGKRZSA-N -1 0 332.316 -0.506 50 0 EBAARM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)Nc1nncs1 ZINC000101186941 419172598 /nfs/dbraw/zinc/17/25/98/419172598.db2.gz FXBMMXGHUYVYHJ-HTQZYQBOSA-N -1 0 343.390 -0.502 50 0 EBAARM NC(=O)c1csc(N2CCN(Cc3ncc[nH]3)[C@@H](C(=O)[O-])C2)n1 ZINC000071416108 303351944 /nfs/dbraw/zinc/35/19/44/303351944.db2.gz GIQMAUOWFIGKGK-SECBINFHSA-N -1 0 336.377 -0.260 50 0 EBAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000268885424 545653568 /nfs/dbraw/zinc/65/35/68/545653568.db2.gz BQEQDJFACLOKLF-LBPRGKRZSA-N -1 0 329.312 -0.013 50 0 EBAARM Cn1c(=O)c2c(=O)cc(N[N-]C(=O)C(F)(F)F)[nH]c2n(C)c1=O ZINC000032257283 546037016 /nfs/dbraw/zinc/03/70/16/546037016.db2.gz VNTQQGYCYAIPEX-UHFFFAOYSA-N -1 0 333.226 -0.657 50 0 EBAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@H](C)n2cccn2)CCO1 ZINC000681943351 546316704 /nfs/dbraw/zinc/31/67/04/546316704.db2.gz LXALEZWFXYGXMM-WCQYABFASA-N -1 0 338.364 -0.395 50 0 EBAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C(=O)OC)cc3)c(=O)c1-2 ZINC000100885292 219109878 /nfs/dbraw/zinc/10/98/78/219109878.db2.gz JGWQYRVRRNMSLB-NXEZZACHSA-N -1 0 331.284 -0.537 50 0 EBAARM NC(=O)CNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000004207017 210145461 /nfs/dbraw/zinc/14/54/61/210145461.db2.gz KXIGBOLOYTWFGK-UHFFFAOYSA-N -1 0 337.151 -0.089 50 0 EBAARM C[C@@H](NC(=O)Cn1[n-]c(=O)ccc1=O)c1ccc2c(c1)NC(=O)CO2 ZINC000069367606 215388523 /nfs/dbraw/zinc/38/85/23/215388523.db2.gz HDTWQMAWBQNXSB-SECBINFHSA-N -1 0 344.327 -0.255 50 0 EBAARM O=C([O-])CCN1CCN(C(=O)N2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091770663 304053119 /nfs/dbraw/zinc/05/31/19/304053119.db2.gz HXXFCFSFRYBQIR-NEPJUHHUSA-N -1 0 345.421 -0.540 50 0 EBAARM CC[C@H](O)CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000072268908 216088144 /nfs/dbraw/zinc/08/81/44/216088144.db2.gz UMWROCZDHLBVLQ-NSHDSACASA-N -1 0 347.375 -0.860 50 0 EBAARM Cc1ccc(C(=O)NCC(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000000051777 209390008 /nfs/dbraw/zinc/39/00/08/209390008.db2.gz AREPGMMKNUEQBS-UHFFFAOYSA-N -1 0 342.373 -0.170 50 0 biogenic EBAARM O=C([O-])C1(n2cccn2)CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000072454629 216242271 /nfs/dbraw/zinc/24/22/71/216242271.db2.gz RTYKIYAECMOVEW-UHFFFAOYSA-N -1 0 344.393 -0.664 50 0 EBAARM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000013028675 375969533 /nfs/dbraw/zinc/96/95/33/375969533.db2.gz RYUVQTYLFCNOEJ-CABZTGNLSA-N -1 0 340.357 -0.220 50 0 EBAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]N3CCOCC3)c(=O)n12 ZINC000016363227 375995738 /nfs/dbraw/zinc/99/57/38/375995738.db2.gz MCAUECUTYJZVMG-UHFFFAOYSA-N -1 0 344.418 -0.102 50 0 EBAARM CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C)C(=O)[O-] ZINC000409413247 376800736 /nfs/dbraw/zinc/80/07/36/376800736.db2.gz GGRJPPILYOBWSV-CDEVMZEPSA-N -1 0 346.405 -0.264 50 0 EBAARM NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000013251517 377465067 /nfs/dbraw/zinc/46/50/67/377465067.db2.gz QTQYJPLSUOPYHP-JQWIXIFHSA-N -1 0 342.373 -0.687 50 0 EBAARM Cn1c(=O)n(C)c(C2C(=O)NC(=O)N=C2[O-])c1-c1ccc(O)cc1 ZINC000604404549 378453714 /nfs/dbraw/zinc/45/37/14/378453714.db2.gz DJAISCKFSGUWCP-UHFFFAOYSA-N -1 0 330.300 -0.454 50 0 biogenic EBAARM Cn1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000217112728 378420037 /nfs/dbraw/zinc/42/00/37/378420037.db2.gz MSKUOIYKMIKONO-GFCCVEGCSA-N -1 0 329.312 -0.275 50 0 EBAARM O=C([O-])[C@@H]1CC(=O)NC12CCN(C(=O)CCN1CCOCC1)CC2 ZINC000091644548 218037694 /nfs/dbraw/zinc/03/76/94/218037694.db2.gz MMQOXSBBYDFANF-LBPRGKRZSA-N -1 0 339.392 -0.709 50 0 EBAARM O=C(c1cc(=O)[n-]o1)N1C[C@@H](CN2CCOCC2)C[C@H](CO)C1 ZINC000091644591 218038161 /nfs/dbraw/zinc/03/81/61/218038161.db2.gz NLLICXLUYFBPBY-NEPJUHHUSA-N -1 0 325.365 -0.217 50 0 EBAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000262622170 378982618 /nfs/dbraw/zinc/98/26/18/378982618.db2.gz NBCGZPBBTDJXHY-WISYIIOYSA-N -1 0 331.390 -0.098 50 0 EBAARM O=C([O-])[C@H]1CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CCO1 ZINC000263051053 379011527 /nfs/dbraw/zinc/01/15/27/379011527.db2.gz WWWWOVPMYQCNMH-GFCCVEGCSA-N -1 0 347.327 -0.196 50 0 EBAARM CCC(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]12 ZINC000007260682 379102983 /nfs/dbraw/zinc/10/29/83/379102983.db2.gz SOXAXJJPBJBMGR-CABZTGNLSA-N -1 0 328.346 -0.302 50 0 EBAARM Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]([C@H]3NC(=O)NC3=O)C2)cn1 ZINC000241408997 381339525 /nfs/dbraw/zinc/33/95/25/381339525.db2.gz NDRJWFXFQQPHOI-LPTSXCQYSA-N -1 0 331.376 -0.030 50 0 EBAARM CSCCc1nc(CCn2ccc(=O)[nH]c2=O)n(CC(=O)[O-])n1 ZINC000097475467 219028969 /nfs/dbraw/zinc/02/89/69/219028969.db2.gz FSHLJTAMNVKBOM-UHFFFAOYSA-N -1 0 339.377 -0.639 50 0 EBAARM C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCC(=O)[O-] ZINC000004792386 210278959 /nfs/dbraw/zinc/27/89/59/210278959.db2.gz YAZHLKIJOZDQOI-SNVBAGLBSA-N -1 0 337.332 -0.382 50 0 EBAARM CCN1CCN(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)C(=O)C1=O ZINC000002569283 285294897 /nfs/dbraw/zinc/29/48/97/285294897.db2.gz IPARGUVYMOMVNU-LLVKDONJSA-N -1 0 335.316 -0.082 50 0 EBAARM NC(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])nn1-c1ccccc1 ZINC000299748342 258008240 /nfs/dbraw/zinc/00/82/40/258008240.db2.gz HAAPTQXRDPAMPL-CYBMUJFWSA-N -1 0 344.327 -0.103 50 0 EBAARM CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000408513448 419057659 /nfs/dbraw/zinc/05/76/59/419057659.db2.gz KEGOIGVZVBOANN-STQMWFEESA-N -1 0 341.385 -0.046 50 0 EBAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000521363657 419942607 /nfs/dbraw/zinc/94/26/07/419942607.db2.gz JCOOYVKCJGJSQC-AAEUAGOBSA-N -1 0 333.344 -0.258 50 0 EBAARM Cc1c[nH]c(C(=O)N2CCN(CC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000077320361 719404251 /nfs/dbraw/zinc/40/42/51/719404251.db2.gz MXQIZVZWKVMXIF-NEPJUHHUSA-N -1 0 341.389 -0.669 50 0 EBAARM O=C([O-])CCN1CCN(c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000077520213 719404281 /nfs/dbraw/zinc/40/42/81/719404281.db2.gz ODDBKBPHQANPQC-WDEREUQCSA-N -1 0 326.378 -0.761 50 0 EBAARM NS(=O)(=O)c1ncccc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000585129539 1128139089 /nfs/dbraw/zinc/13/90/89/1128139089.db2.gz NBXIGXICBYZIPY-UHFFFAOYSA-N -1 0 335.407 -0.103 50 0 EBAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(C(C)=O)ccc3OC)c(=O)c1-2 ZINC000100568136 219101745 /nfs/dbraw/zinc/10/17/45/219101745.db2.gz FLIQIBZLDYQWRX-NEPJUHHUSA-N -1 0 345.311 -0.112 50 0 EBAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(OC)ccc3OC)c(=O)c1-2 ZINC000100559237 219101775 /nfs/dbraw/zinc/10/17/75/219101775.db2.gz NQGHPPCPHMBYPL-GHMZBOCLSA-N -1 0 333.300 -0.306 50 0 EBAARM COc1cc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)ccc1O ZINC000101763616 219162387 /nfs/dbraw/zinc/16/23/87/219162387.db2.gz NBJJNXICXPWKHU-QMMMGPOBSA-N -1 0 332.316 -0.068 50 0 EBAARM CC[C@@H](O)CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000072268909 216089280 /nfs/dbraw/zinc/08/92/80/216089280.db2.gz UMWROCZDHLBVLQ-LLVKDONJSA-N -1 0 347.375 -0.860 50 0 EBAARM NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000001731768 375878523 /nfs/dbraw/zinc/87/85/23/375878523.db2.gz SOUXAAOTONMPRY-NSHDSACASA-N -1 0 337.332 -0.252 50 0 EBAARM NC(=O)[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1ccccc1 ZINC000048363200 376054476 /nfs/dbraw/zinc/05/44/76/376054476.db2.gz VEABCDSVBMYNLW-NSHDSACASA-N -1 0 339.311 -0.020 50 0 EBAARM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012504631 211394319 /nfs/dbraw/zinc/39/43/19/211394319.db2.gz UKHIESSXNFEMIX-WPRPVWTQSA-N -1 0 329.330 -0.334 50 0 EBAARM COc1cc(N2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)[O-])C2)ncn1 ZINC000092046763 218110530 /nfs/dbraw/zinc/11/05/30/218110530.db2.gz UTWVAUKLGBFXOG-BONVTDFDSA-N -1 0 335.364 -0.010 50 0 EBAARM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000225389932 291730447 /nfs/dbraw/zinc/73/04/47/291730447.db2.gz BOUAMDQFKPGODC-NXEZZACHSA-N -1 0 331.394 -0.004 50 0 EBAARM O=C([O-])c1cccc(N2CCN(C(=O)CN3C(=O)CNC3=O)CC2)c1 ZINC000095389186 218320764 /nfs/dbraw/zinc/32/07/64/218320764.db2.gz FJLULRVEYBTJRG-UHFFFAOYSA-N -1 0 346.343 -0.415 50 0 EBAARM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CN1CCCCCCC1=O ZINC000643431213 380225914 /nfs/dbraw/zinc/22/59/14/380225914.db2.gz BKCWLCWCHRDAAI-NSHDSACASA-N -1 0 346.405 -0.511 50 0 EBAARM O=C([O-])CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000016625962 380939284 /nfs/dbraw/zinc/93/92/84/380939284.db2.gz LIGXPLABPZPERJ-UHFFFAOYSA-N -1 0 346.336 -0.339 50 0 EBAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000245245581 381338981 /nfs/dbraw/zinc/33/89/81/381338981.db2.gz DQDNHEIJDWLTGW-SRVKXCTJSA-N -1 0 344.433 -0.326 50 0 EBAARM CCN1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000299794931 258099838 /nfs/dbraw/zinc/09/98/38/258099838.db2.gz KSJPNIIBRNJNOO-JTQLQIEISA-N -1 0 340.405 -0.290 50 0 EBAARM C[C@]1(c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2)NC(=O)NC1=O ZINC000262964484 154251580 /nfs/dbraw/zinc/25/15/80/154251580.db2.gz KRZQLCXIIXRPDX-MEDUHNTESA-N -1 0 347.327 -0.333 50 0 EBAARM Cc1cc(C)n(CC(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])c(=O)n1 ZINC000223926948 419249207 /nfs/dbraw/zinc/24/92/07/419249207.db2.gz OFCOUNQXUMVNFT-NEPJUHHUSA-N -1 0 339.348 -0.765 50 0 EBAARM Cc1cc(C)c(S(=O)(=O)N2CCN[C@@H](C(=O)[O-])C2)c2nonc21 ZINC000071747085 301194653 /nfs/dbraw/zinc/19/46/53/301194653.db2.gz PHTKDYMERASQCZ-SECBINFHSA-N -1 0 340.361 -0.113 50 0 EBAARM Cc1cc(C)n2nc(S(=O)(=O)[N-][C@](C)(C(N)=O)C(C)C)nc2n1 ZINC000000053036 301259879 /nfs/dbraw/zinc/25/98/79/301259879.db2.gz NIRQNXWIWXFWIO-ZDUSSCGKSA-N -1 0 340.409 -0.081 50 0 EBAARM CN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000268943182 522451459 /nfs/dbraw/zinc/45/14/59/522451459.db2.gz LGZWCIJJEYJYQA-LBPRGKRZSA-N -1 0 326.374 -0.084 50 0 EBAARM O=C([O-])COc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000000054541 527619840 /nfs/dbraw/zinc/61/98/40/527619840.db2.gz QIKBUNVPAMHPGJ-UHFFFAOYSA-N -1 0 325.325 -0.992 50 0 EBAARM Cn1c(=O)ccn(CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1=O ZINC000324364453 545827703 /nfs/dbraw/zinc/82/77/03/545827703.db2.gz RVGRRGPMEMHYOR-INIZCTEOSA-N -1 0 331.328 -0.337 50 0 EBAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)Cc2cccnc2)CCO1 ZINC000681942856 546316779 /nfs/dbraw/zinc/31/67/79/546316779.db2.gz FTBCZDHMYMKMIF-CQSZACIVSA-N -1 0 335.360 -0.215 50 0 EBAARM O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)CCN1 ZINC000071763429 563965409 /nfs/dbraw/zinc/96/54/09/563965409.db2.gz ICZCGDIKAOBHFX-ZDUSSCGKSA-N -1 0 325.390 -0.352 50 0 EBAARM CN1CCN(c2cc(N3CCC(O)(C(=O)[O-])CC3)nc(N)n2)CC1 ZINC000072144078 719403574 /nfs/dbraw/zinc/40/35/74/719403574.db2.gz YIGYNTMTDFTNGK-UHFFFAOYSA-N -1 0 336.396 -0.774 50 0 EBAARM NC(=O)C[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)[O-] ZINC000004084339 210116928 /nfs/dbraw/zinc/11/69/28/210116928.db2.gz BXHVGYUSWSVSIY-PKFCDNJMSA-N -1 0 349.368 -0.299 50 0 biogenic EBAARM CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000278536916 290796709 /nfs/dbraw/zinc/79/67/09/290796709.db2.gz JEWKJFOWLGZWKN-VIFPVBQESA-N -1 0 349.434 -0.187 50 0 EBAARM O=c1[n-]c(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)n[nH]1 ZINC000067675816 215180402 /nfs/dbraw/zinc/18/04/02/215180402.db2.gz REXNJCPJNPBTRJ-KRWDZBQOSA-N -1 0 345.403 -0.216 50 0 EBAARM CCS(=O)(=O)N1CCN(C(=O)c2nccnc2C(=O)[O-])CC1 ZINC000226604281 242107026 /nfs/dbraw/zinc/10/70/26/242107026.db2.gz POHCHVNICGKDQP-UHFFFAOYSA-N -1 0 328.350 -0.718 50 0 EBAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000091707396 218051635 /nfs/dbraw/zinc/05/16/35/218051635.db2.gz NPNULJIDXWQMJO-MRVPVSSYSA-N -1 0 349.372 -0.069 50 0 EBAARM NC(=O)C[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)[O-] ZINC000002344976 379141064 /nfs/dbraw/zinc/14/10/64/379141064.db2.gz FBCWKSXSFJXCIG-LURJTMIESA-N -1 0 330.347 -0.702 50 0 EBAARM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000252491716 379824654 /nfs/dbraw/zinc/82/46/54/379824654.db2.gz LRJCUGFNZLUDMK-IUCAKERBSA-N -1 0 333.366 -0.046 50 0 EBAARM CCCSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] ZINC000004962281 210340903 /nfs/dbraw/zinc/34/09/03/210340903.db2.gz IJQSYVSEZCHJFD-IUCAKERBSA-N -1 0 349.409 -0.993 50 0 EBAARM O=C([O-])CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000006855256 135677902 /nfs/dbraw/zinc/67/79/02/135677902.db2.gz SDMZFSGETJOOSB-UHFFFAOYSA-N -1 0 341.393 -0.279 50 0 EBAARM CN(C)S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])co1 ZINC000262103127 154212861 /nfs/dbraw/zinc/21/28/61/154212861.db2.gz HTDWMDVAKQPGEK-VIFPVBQESA-N -1 0 332.334 -0.545 50 0 EBAARM Cn1c([O-])c(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)c(=O)n(C)c1=O ZINC000101761669 419176335 /nfs/dbraw/zinc/17/63/35/419176335.db2.gz YZISVORKTUWDBV-VIFPVBQESA-N -1 0 344.327 -0.043 50 0 EBAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000223539386 419248256 /nfs/dbraw/zinc/24/82/56/419248256.db2.gz HSPREFJBYZTSRZ-VXGBXAGGSA-N -1 0 347.327 -0.088 50 0 EBAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000521363660 419941766 /nfs/dbraw/zinc/94/17/66/419941766.db2.gz JCOOYVKCJGJSQC-YPMHNXCESA-N -1 0 333.344 -0.258 50 0 EBAARM Cn1c(=O)ccn(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1=O ZINC000299742995 420939147 /nfs/dbraw/zinc/93/91/47/420939147.db2.gz LIZHATGDQSQZML-WOPDTQHZSA-N -1 0 335.360 -0.209 50 0 EBAARM CCC(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]12 ZINC000007260685 281947619 /nfs/dbraw/zinc/94/76/19/281947619.db2.gz SOXAXJJPBJBMGR-SKDRFNHKSA-N -1 0 328.346 -0.302 50 0 EBAARM CNc1nc(N2CCN(C(=O)CCC(=O)[O-])C[C@@H](O)C2)ncc1F ZINC000097785111 219056927 /nfs/dbraw/zinc/05/69/27/219056927.db2.gz VKYMGXRKNCNEQP-SECBINFHSA-N -1 0 341.343 -0.468 50 0 EBAARM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)cc1O ZINC000101763664 219162905 /nfs/dbraw/zinc/16/29/05/219162905.db2.gz TWCWMNXENGVGJL-MRVPVSSYSA-N -1 0 332.316 -0.068 50 0 EBAARM CN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000002455975 209852038 /nfs/dbraw/zinc/85/20/38/209852038.db2.gz UFOXZFIVYHTHDZ-UHFFFAOYSA-N -1 0 342.373 -0.136 50 0 EBAARM COc1cccc(C(=O)N2CCN(C(=O)c3nc(=O)[nH][n-]3)CC2)c1 ZINC000040554421 213349516 /nfs/dbraw/zinc/34/95/16/213349516.db2.gz ZTQZXSSJXPELDI-UHFFFAOYSA-N -1 0 331.332 -0.295 50 0 EBAARM Cn1cc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1C(N)=O ZINC000040510310 213326655 /nfs/dbraw/zinc/32/66/55/213326655.db2.gz JUKQVINWQYQFCP-UHFFFAOYSA-N -1 0 336.373 -0.047 50 0 EBAARM O=C(NCCc1n[nH]c(=O)[n-]1)c1cn(Cc2c(F)cccc2F)nn1 ZINC000072127113 216017675 /nfs/dbraw/zinc/01/76/75/216017675.db2.gz AUTXYQBOFZGJOJ-UHFFFAOYSA-N -1 0 349.301 -0.012 50 0 EBAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)C2=NNC(=O)CC2)CC1 ZINC000072432591 216226421 /nfs/dbraw/zinc/22/64/21/216226421.db2.gz BFCUQFLNCCDFBI-UHFFFAOYSA-N -1 0 333.348 -0.140 50 0 EBAARM C[C@@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)[O-] ZINC000002134027 296102819 /nfs/dbraw/zinc/10/28/19/296102819.db2.gz FHLRNMBOHDMUAS-PPOPXYSFSA-N -1 0 345.348 -0.028 50 0 biogenic EBAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000020614928 212156504 /nfs/dbraw/zinc/15/65/04/212156504.db2.gz OIUMYGQPXFTEDG-LLVKDONJSA-N -1 0 336.348 -0.418 50 0 EBAARM NC(=O)[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1ccccc1 ZINC000048363203 376053986 /nfs/dbraw/zinc/05/39/86/376053986.db2.gz VEABCDSVBMYNLW-LLVKDONJSA-N -1 0 339.311 -0.020 50 0 EBAARM O=C(NCc1cccnc1N1CCC[C@@H](O)C1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000067688440 376248188 /nfs/dbraw/zinc/24/81/88/376248188.db2.gz OVNONVKCNQPBGO-LLVKDONJSA-N -1 0 345.359 -0.651 50 0 EBAARM Cn1nnc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)n1 ZINC000127180578 376262670 /nfs/dbraw/zinc/26/26/70/376262670.db2.gz DMBVNGSTUCJLBH-UHFFFAOYSA-N -1 0 335.342 -0.447 50 0 EBAARM Cc1nc(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)[O-])C2)no1 ZINC000091350993 376441641 /nfs/dbraw/zinc/44/16/41/376441641.db2.gz SQXQWHQPCOQQEQ-CABZTGNLSA-N -1 0 330.366 -0.844 50 0 EBAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)[C@@H]1CNC(=O)C1 ZINC000408366802 376875429 /nfs/dbraw/zinc/87/54/29/376875429.db2.gz ZRBSAVXMMOVOMB-VIFPVBQESA-N -1 0 337.357 -0.488 50 0 EBAARM O=C([O-])[C@H]1CC(=O)NC12CCN(C(=O)CCN1CCOCC1)CC2 ZINC000091644549 218037635 /nfs/dbraw/zinc/03/76/35/218037635.db2.gz MMQOXSBBYDFANF-GFCCVEGCSA-N -1 0 339.392 -0.709 50 0 EBAARM COc1c[nH]c(CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])cc1=O ZINC000091847893 218076048 /nfs/dbraw/zinc/07/60/48/218076048.db2.gz YSEGPSRNIPWYHG-NSHDSACASA-N -1 0 335.360 -0.061 50 0 EBAARM O=C([O-])[C@@H]1CC(=O)NC12CCN(CC(=O)NCc1ccco1)CC2 ZINC000095357216 218290566 /nfs/dbraw/zinc/29/05/66/218290566.db2.gz 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419156569 /nfs/dbraw/zinc/15/65/69/419156569.db2.gz RNZBNOSENHAQAX-GFCCVEGCSA-N -1 0 332.316 -0.506 50 0 EBAARM COCCN(C)CC(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299788464 419371967 /nfs/dbraw/zinc/37/19/67/419371967.db2.gz PNXUFXWRTUAQHN-WDEREUQCSA-N -1 0 325.369 -0.600 50 0 EBAARM Cn1cc([C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299775005 302924628 /nfs/dbraw/zinc/92/46/28/302924628.db2.gz IXONGLXGMGOOJT-NWDGAFQWSA-N -1 0 345.359 -0.156 50 0 EBAARM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000003887981 210084929 /nfs/dbraw/zinc/08/49/29/210084929.db2.gz BCJADHDQEGJTLE-SECBINFHSA-N -1 0 344.345 -0.545 50 0 EBAARM Cn1c([O-])c(C(=O)Cn2nnc3ccccc3c2=O)c(=O)n(C)c1=O ZINC000103501997 219308560 /nfs/dbraw/zinc/30/85/60/219308560.db2.gz NNTKFOLNIIWNJQ-UHFFFAOYSA-N -1 0 343.299 -0.973 50 0 EBAARM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCOc2ccccc21 ZINC000069626103 215505668 /nfs/dbraw/zinc/50/56/68/215505668.db2.gz VOGLITLAQOCLJP-VIFPVBQESA-N -1 0 327.362 -0.229 50 0 EBAARM O=C(C[C@@H]1C(=O)NCCN1CCc1ccccc1)NCc1nnn[n-]1 ZINC000072162764 216051266 /nfs/dbraw/zinc/05/12/66/216051266.db2.gz NCMJOEDBZFOQLR-CYBMUJFWSA-N -1 0 343.391 -0.751 50 0 EBAARM Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2nnn[n-]2)cc1 ZINC000072169711 216060673 /nfs/dbraw/zinc/06/06/73/216060673.db2.gz DYNQQJSQCSGGMH-ZDUSSCGKSA-N -1 0 343.391 -0.485 50 0 EBAARM O=C([O-])C[C@@H]1COCCN1C(=O)COc1cccc(-n2cnnn2)c1 ZINC000072429421 216220804 /nfs/dbraw/zinc/22/08/04/216220804.db2.gz XTSOJTLTHOVZPQ-GFCCVEGCSA-N -1 0 347.331 -0.257 50 0 EBAARM O=C([O-])C1(n2cccn2)CCN(C(=O)CCCn2cnnn2)CC1 ZINC000072447639 216238045 /nfs/dbraw/zinc/23/80/45/216238045.db2.gz FREJLCUOVXHYDL-UHFFFAOYSA-N -1 0 333.352 -0.248 50 0 EBAARM CCn1c(C)cc(C)c(C(=O)N2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)c1=O ZINC000072476432 216254595 /nfs/dbraw/zinc/25/45/95/216254595.db2.gz PFEVHNHLBRPFRD-APPDUMDISA-N -1 0 347.371 -0.242 50 0 EBAARM CN(CC(=O)N1C[C@H]2C(=O)NC[C@@]2(C(=O)[O-])C1)Cc1ccccc1F ZINC000072478716 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Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc(S(N)(=O)=O)c1C ZINC000268971593 301103461 /nfs/dbraw/zinc/10/34/61/301103461.db2.gz HCCGJSSUOQAAAP-LLVKDONJSA-N -1 0 342.373 -0.124 50 0 EBAARM Cc1cc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])c(=O)[nH]c1C ZINC000095376115 301136295 /nfs/dbraw/zinc/13/62/95/301136295.db2.gz IJHYJVPJJITXGV-JTQLQIEISA-N -1 0 330.362 -0.391 50 0 EBAARM Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)Cc1n[nH]c(=O)[n-]1)C2 ZINC000071762633 302647631 /nfs/dbraw/zinc/64/76/31/302647631.db2.gz GRNVUASLUDKBBX-UHFFFAOYSA-N -1 0 343.391 -0.076 50 0 EBAARM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1cc(=O)[nH][n-]c1=O ZINC000220396543 303317791 /nfs/dbraw/zinc/31/77/91/303317791.db2.gz BEQDXEZJJVODGZ-LBPRGKRZSA-N -1 0 328.328 -0.956 50 0 EBAARM O=C([O-])C1(O)CCN(C(=O)[C@@H](c2cccnc2)N2CCOCC2)CC1 ZINC000071760291 649969677 /nfs/dbraw/zinc/96/96/77/649969677.db2.gz INERUBNTVDDPDS-CQSZACIVSA-N -1 0 349.387 -0.107 50 0 EBAARM CC(=O)N1C[C@H]2CN(C(=O)C(=O)NC3CCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000065404928 719401738 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