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363489979 /nfs/dbraw/zinc/48/99/79/363489979.db2.gz IOHGPWMQEXGCJI-BDAKNGLRSA-N -1 0 231.292 0.620 20 0 BCADRM O=C(NCc1nnn[n-]1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000613538185 363478557 /nfs/dbraw/zinc/47/85/57/363478557.db2.gz KUWYEPLMLOCGNO-PRJMDXOYSA-N -1 0 221.264 0.252 20 0 BCADRM CN(CCc1cnccn1)Cc1n[n-]c(=O)o1 ZINC000639674897 356591940 /nfs/dbraw/zinc/59/19/40/356591940.db2.gz CXBUIGZAJSHKOU-UHFFFAOYSA-N -1 0 235.247 0.240 20 0 BCADRM Cc1ccn(CC(=O)N=c2nc(C)[n-]s2)n1 ZINC000449983336 202062911 /nfs/dbraw/zinc/06/29/11/202062911.db2.gz ZVKUBXXCMXUUJB-UHFFFAOYSA-N -1 0 237.288 0.412 20 0 BCADRM CCC[C@@H](NC(=O)[C@H]1CC1(F)F)c1nnn[n-]1 ZINC000450119957 202083083 /nfs/dbraw/zinc/08/30/83/202083083.db2.gz DWUWZDMAMCPDCH-PHDIDXHHSA-N -1 0 245.233 0.812 20 0 BCADRM CC(C)OCCCNC(=O)N[C@@H](C)C(=O)[O-] ZINC000002405733 356632133 /nfs/dbraw/zinc/63/21/33/356632133.db2.gz DIRLTPQDNZPMET-QMMMGPOBSA-N -1 0 232.280 0.574 20 0 BCADRM CCNC(=O)[C@H](C)N=c1[n-]c(C2CCC2)no1 ZINC000450223404 202101063 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202190705 /nfs/dbraw/zinc/19/07/05/202190705.db2.gz QIRVJGTTWLEVDR-GJMOJQLCSA-N -1 0 211.261 0.964 20 0 BCADRM Cc1cccc(CCNC(=O)CCC(=O)[O-])n1 ZINC000353162218 538734988 /nfs/dbraw/zinc/73/49/88/538734988.db2.gz OWOUNBUWQGHDAE-UHFFFAOYSA-N -1 0 236.271 0.914 20 0 BCADRM O[C@H](CN=c1[n-]c(C2CCC2)no1)C(F)F ZINC000450503931 202188079 /nfs/dbraw/zinc/18/80/79/202188079.db2.gz XBCXGELLKWLOCC-ZCFIWIBFSA-N -1 0 233.218 0.797 20 0 BCADRM COCc1nnc(SCC(=O)[O-])s1 ZINC000079745368 363570598 /nfs/dbraw/zinc/57/05/98/363570598.db2.gz ZTBOSLXRBAZLFE-UHFFFAOYSA-N -1 0 220.275 0.861 20 0 BCADRM C[C@@H](CC(=O)NCc1nnn[n-]1)C(F)(F)F ZINC000626465642 356998778 /nfs/dbraw/zinc/99/87/78/356998778.db2.gz OWUKSJCRZXOCKQ-BYPYZUCNSA-N -1 0 237.185 0.404 20 0 BCADRM CCCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000582358465 357101642 /nfs/dbraw/zinc/10/16/42/357101642.db2.gz YAKTZQWZLCKCGU-UHFFFAOYSA-N -1 0 244.272 0.468 20 0 BCADRM C[C@@H]1C[C@H](C)[C@@H](C(=O)NC2(C(=O)[O-])CCC2)O1 ZINC000582362731 357102755 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357231521 /nfs/dbraw/zinc/23/15/21/357231521.db2.gz QFUNEYUVKKETKT-ZETCQYMHSA-N -1 0 208.217 0.675 20 0 BCADRM CCCS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000393738138 357294624 /nfs/dbraw/zinc/29/46/24/357294624.db2.gz RLCAMKKGCVQNKL-YFKPBYRVSA-N -1 0 245.247 0.424 20 0 BCADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)CCC(=O)[O-] ZINC000393740478 357295493 /nfs/dbraw/zinc/29/54/93/357295493.db2.gz BBXOEYQZIKEOKT-STPJVMRTSA-N -1 0 247.316 0.219 20 0 BCADRM CC[C@]1(C)C[C@H]1C(=O)Nc1n[nH]nc1C(N)=O ZINC000582472675 357314066 /nfs/dbraw/zinc/31/40/66/357314066.db2.gz PVCKJZCXPXRYAN-XUOSJQGZSA-N -1 0 237.263 0.278 20 0 BCADRM O=C(C[C@@H]1CCCCO1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000584362363 357327948 /nfs/dbraw/zinc/32/79/48/357327948.db2.gz WQNFMVSTZZERLC-GUBZILKMSA-N -1 0 241.287 0.925 20 0 BCADRM COC[C@H](NC(=O)N[C@H](C)C1CCC1)C(=O)[O-] ZINC000137959140 491110108 /nfs/dbraw/zinc/11/01/08/491110108.db2.gz NZAQIQNGCGQHKW-APPZFPTMSA-N -1 0 244.291 0.574 20 0 BCADRM COCCCNC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000394953692 357401566 /nfs/dbraw/zinc/40/15/66/357401566.db2.gz OJYBNKVGSFZPDZ-QMMMGPOBSA-N -1 0 244.291 0.670 20 0 BCADRM O=C([O-])[C@H](NC(=O)Nc1ccncc1)C1CC1 ZINC000582941811 357442307 /nfs/dbraw/zinc/44/23/07/357442307.db2.gz NPXPXLFYJKBDOF-SECBINFHSA-N -1 0 235.243 0.488 20 0 BCADRM O=C([O-])c1cnc(N2CCC[C@@H](O)C2)s1 ZINC000075624423 491110460 /nfs/dbraw/zinc/11/04/60/491110460.db2.gz YYVOLXXGCMLRIW-ZCFIWIBFSA-N -1 0 228.273 0.802 20 0 BCADRM O=C([O-])CCCn1cnc2c(c1=O)CCCC2 ZINC000395593931 357438710 /nfs/dbraw/zinc/43/87/10/357438710.db2.gz RMJNVFSJPXPFGM-UHFFFAOYSA-N -1 0 236.271 0.987 20 0 BCADRM [NH3+][C@H](C(=O)NCc1ncccc1O)C1CCC1 ZINC000582962017 357439385 /nfs/dbraw/zinc/43/93/85/357439385.db2.gz ANWVEKFVHSAEIR-NSHDSACASA-N -1 0 235.287 0.531 20 0 BCADRM C[C@]1(CNC(=O)NC2(C(=O)[O-])CC2)CCOC1 ZINC000397203204 357507098 /nfs/dbraw/zinc/50/70/98/357507098.db2.gz RLDQTNFHBBVAJE-SNVBAGLBSA-N -1 0 242.275 0.329 20 0 BCADRM CC(C)(C(=O)[O-])C(=O)NC[C@@]1(C)CCOC1 ZINC000397184963 357509377 /nfs/dbraw/zinc/50/93/77/357509377.db2.gz LETVLFREGYMGRJ-LLVKDONJSA-N -1 0 229.276 0.640 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)NC[C@]1(C)CCOC1 ZINC000397187705 357509399 /nfs/dbraw/zinc/50/93/99/357509399.db2.gz KAXKFQGTTJAYRS-KCJUWKMLSA-N -1 0 244.291 0.528 20 0 BCADRM COC[C@H](NC(=O)[C@H](C)C(=O)[O-])C1CC1 ZINC000397358522 357512617 /nfs/dbraw/zinc/51/26/17/357512617.db2.gz FSKUXHWKGDMXFO-XPUUQOCRSA-N -1 0 215.249 0.248 20 0 BCADRM CCOCCOCC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000583036389 357466638 /nfs/dbraw/zinc/46/66/38/357466638.db2.gz OSRFYWKWOMLJMT-KYZUINATSA-N -1 0 245.275 0.019 20 0 BCADRM CC[C@@H](C)NC(=O)Cn1nc(SC)[n-]c1=O ZINC000189440634 357641796 /nfs/dbraw/zinc/64/17/96/357641796.db2.gz MJBJKIRYDIRNMO-ZCFIWIBFSA-N -1 0 244.320 0.208 20 0 BCADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)NC(C)C ZINC000160330368 538883819 /nfs/dbraw/zinc/88/38/19/538883819.db2.gz LKWHLDFKYZVUOR-SSDOTTSWSA-N -1 0 238.309 0.024 20 0 BCADRM CC[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@H]1C)C(=O)[O-] ZINC000583265934 357755086 /nfs/dbraw/zinc/75/50/86/357755086.db2.gz XEHONGZBDXMVHI-LURQLKTLSA-N -1 0 229.276 0.779 20 0 BCADRM CC(C)[C@@H](CO)Nc1cnc(C(=O)[O-])cn1 ZINC000086131116 357856658 /nfs/dbraw/zinc/85/66/58/357856658.db2.gz WOVFFKPGKQQZNQ-MRVPVSSYSA-N -1 0 225.248 0.604 20 0 BCADRM Cc1cc(C(=O)NC[C@](C)(O)C(=O)[O-])oc1C ZINC000546024401 325259872 /nfs/dbraw/zinc/25/98/72/325259872.db2.gz BOXWBAHEGPOZPH-NSHDSACASA-N -1 0 241.243 0.462 20 0 BCADRM O=C([O-])CC1(NC(=O)c2ccc(F)cn2)CC1 ZINC000398304139 357882864 /nfs/dbraw/zinc/88/28/64/357882864.db2.gz OMKKDIOJCRHHJY-UHFFFAOYSA-N -1 0 238.218 0.958 20 0 BCADRM O=C([O-])CC1(NC(=O)c2ccc[nH]2)CC1 ZINC000398324134 357883495 /nfs/dbraw/zinc/88/34/95/357883495.db2.gz XTAXIVNHXHVTGE-UHFFFAOYSA-N -1 0 208.217 0.752 20 0 BCADRM CO[C@@H](C)C(=O)NC1(CC(=O)[O-])CC1 ZINC000398322743 357883523 /nfs/dbraw/zinc/88/35/23/357883523.db2.gz XCTRONJKACCEHK-LURJTMIESA-N -1 0 201.222 0.145 20 0 BCADRM O=C([O-])CC1(NS(=O)(=O)C2CC2)CC1 ZINC000398366263 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C[C@H](CO)NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424402866 388004612 /nfs/dbraw/zinc/00/46/12/388004612.db2.gz ICROPFCUTSMFKJ-SSDOTTSWSA-N -1 0 232.280 0.167 20 0 BCADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)on1 ZINC000020249899 177798590 /nfs/dbraw/zinc/79/85/90/177798590.db2.gz LOVVUDRUOXUXPF-MRVPVSSYSA-N -1 0 226.232 0.822 20 0 BCADRM Cc1cc(C(=O)N[C@@H](C)CC(=O)[O-])no1 ZINC000037412605 177798024 /nfs/dbraw/zinc/79/80/24/177798024.db2.gz VLDWXRPWIFGGMH-YFKPBYRVSA-N -1 0 212.205 0.576 20 0 BCADRM CCc1ccccc1OCC(=O)NCC(=O)[O-] ZINC000033434468 388014071 /nfs/dbraw/zinc/01/40/71/388014071.db2.gz ZHURRRLCTMGWHN-UHFFFAOYSA-N -1 0 237.255 0.829 20 0 BCADRM CC[C@@H](NC(=O)CC1CCOCC1)C(=O)[O-] ZINC000082247016 388017958 /nfs/dbraw/zinc/01/79/58/388017958.db2.gz HOIWOUNWGJXNHG-SECBINFHSA-N -1 0 229.276 0.783 20 0 BCADRM Cc1cn2cc(C(=O)Nc3nnn[n-]3)sc2n1 ZINC000440125085 388034122 /nfs/dbraw/zinc/03/41/22/388034122.db2.gz YFBXVNZCKYVUNE-UHFFFAOYSA-N -1 0 249.259 0.470 20 0 BCADRM 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CN(C)c1nccc(N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000085435657 388089210 /nfs/dbraw/zinc/08/92/10/388089210.db2.gz QFPVUWSVUVENRM-MRVPVSSYSA-N -1 0 236.275 0.454 20 0 BCADRM O=C([O-])CCCNC(=O)NC[C@H](CO)C1CC1 ZINC000646166125 388158596 /nfs/dbraw/zinc/15/85/96/388158596.db2.gz ZDUGUZMTYJXARZ-SECBINFHSA-N -1 0 244.291 0.169 20 0 BCADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[C@H](F)C2)C1 ZINC000646180563 388160164 /nfs/dbraw/zinc/16/01/64/388160164.db2.gz PDKPBWVJYFQCGB-VGMNWLOBSA-N -1 0 244.266 0.993 20 0 BCADRM CCc1nc(C(=O)N[C@@H](C)C(=O)[O-])co1 ZINC000455762007 388168597 /nfs/dbraw/zinc/16/85/97/388168597.db2.gz ZVCKVVHNFOOVPV-YFKPBYRVSA-N -1 0 212.205 0.440 20 0 BCADRM CC(C)(C)CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000646053284 388133692 /nfs/dbraw/zinc/13/36/92/388133692.db2.gz BKYQMTDGDVIRIJ-OCAPTIKFSA-N -1 0 249.332 0.815 20 0 BCADRM Cc1nc(=NC(=O)[C@H]2NCC2(C)C)s[n-]1 ZINC000646114076 388144697 /nfs/dbraw/zinc/14/46/97/388144697.db2.gz RPBGAGRMWCUZHM-ZCFIWIBFSA-N -1 0 226.305 0.205 20 0 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411045503 /nfs/dbraw/zinc/04/55/03/411045503.db2.gz HHPJVQHHPOAEGH-ZETCQYMHSA-N -1 0 217.244 0.747 20 0 BCADRM CO[C@H](C)c1nc(=N[C@@H](CO)CCF)s[n-]1 ZINC000651463664 411048105 /nfs/dbraw/zinc/04/81/05/411048105.db2.gz YYMMFSWCLKHIGJ-RNFRBKRXSA-N -1 0 249.311 0.800 20 0 BCADRM CC(C)c1cc(C(=O)N[C@H](C)C(=O)[O-])nn1C ZINC000236714960 167565622 /nfs/dbraw/zinc/56/56/22/167565622.db2.gz URBBAWQISLCOFY-SSDOTTSWSA-N -1 0 239.275 0.746 20 0 BCADRM CO[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC000659159591 411078029 /nfs/dbraw/zinc/07/80/29/411078029.db2.gz BHZLMLIZBYXYDU-AXTSPUMRSA-N -1 0 241.287 0.781 20 0 BCADRM CC[C@H](C(=O)[O-])N(C)CC(=O)N(C)C1CC1 ZINC000044623139 411138826 /nfs/dbraw/zinc/13/88/26/411138826.db2.gz VVTHZFBCQOIFMN-SECBINFHSA-N -1 0 228.292 0.402 20 0 BCADRM N=c1[n-]nc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)o1 ZINC000651771288 411143027 /nfs/dbraw/zinc/14/30/27/411143027.db2.gz VLQBZOCMTYWDBX-HRDYMLBCSA-N -1 0 248.286 0.701 20 0 BCADRM 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227.260 0.535 20 0 BCADRM C[C@H](O)CN(C(=O)NCCC(=O)[O-])C1CC1 ZINC000655879569 411153094 /nfs/dbraw/zinc/15/30/94/411153094.db2.gz PUCIGQPPBUKHSZ-ZETCQYMHSA-N -1 0 230.264 0.016 20 0 BCADRM CC[C@@H](O)CCCNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655886080 411153564 /nfs/dbraw/zinc/15/35/64/411153564.db2.gz VXFZRMNHAUZTCH-DTWKUNHWSA-N -1 0 246.307 0.557 20 0 BCADRM C[C@H](CNC(=O)N(C)CC1(CO)CC1)C(=O)[O-] ZINC000655885112 411153696 /nfs/dbraw/zinc/15/36/96/411153696.db2.gz RGYAQCXAZBHBBV-MRVPVSSYSA-N -1 0 244.291 0.121 20 0 BCADRM COCC1(NC(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000655886455 411153711 /nfs/dbraw/zinc/15/37/11/411153711.db2.gz CULHFJFQFYJGBL-ZETCQYMHSA-N -1 0 230.264 0.185 20 0 BCADRM C[C@@H](CNC(=O)N(C)CC1(CO)CC1)C(=O)[O-] ZINC000655885114 411153968 /nfs/dbraw/zinc/15/39/68/411153968.db2.gz RGYAQCXAZBHBBV-QMMMGPOBSA-N -1 0 244.291 0.121 20 0 BCADRM CC[C@H](NC(=O)NC[C@H](C)C(=O)[O-])[C@H](C)O ZINC000655882062 411154031 /nfs/dbraw/zinc/15/40/31/411154031.db2.gz TZWCXKYXLXPASZ-FXQIFTODSA-N -1 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CC(C)N(CC(=O)[O-])C(=O)c1ccc(N)nc1 ZINC000630572465 411870835 /nfs/dbraw/zinc/87/08/35/411870835.db2.gz GJJURLZKMKKGNM-UHFFFAOYSA-N -1 0 237.259 0.599 20 0 BCADRM CC[C@@H](NC(=O)CCn1cccn1)C(=O)[O-] ZINC000035409666 170877293 /nfs/dbraw/zinc/87/72/93/170877293.db2.gz FRIPXFVYTJLDPT-MRVPVSSYSA-N -1 0 225.248 0.253 20 0 BCADRM CC[C@@H](NC(=O)Nc1cnn(C)c1)C(=O)[O-] ZINC000040577108 170880612 /nfs/dbraw/zinc/88/06/12/170880612.db2.gz HYLWJFRLPUBYKB-SSDOTTSWSA-N -1 0 226.236 0.405 20 0 BCADRM CC[C@@H](NC(=O)c1cn2ccccc2n1)C(=O)[O-] ZINC000035409378 170885716 /nfs/dbraw/zinc/88/57/16/170885716.db2.gz OIQXEYKPCRSMQM-MRVPVSSYSA-N -1 0 247.254 0.927 20 0 BCADRM CC[C@@H](NC(=O)c1cnsn1)C(=O)[O-] ZINC000035687459 170886990 /nfs/dbraw/zinc/88/69/90/170886990.db2.gz LPGBKQLLJXYHPX-SCSAIBSYSA-N -1 0 215.234 0.131 20 0 BCADRM C[C@@H](c1ccccc1)[C@H](O)CN=c1nn[n-]n1C ZINC000664615647 412000527 /nfs/dbraw/zinc/00/05/27/412000527.db2.gz VDVLQRKSHSWBHV-GXSJLCMTSA-N -1 0 247.302 0.209 20 0 BCADRM CC[C@@H](C)NC(=O)CN(CC)[C@H](C)C(=O)[O-] ZINC000662214531 412023744 /nfs/dbraw/zinc/02/37/44/412023744.db2.gz ANHBFDSWTPKOQZ-RKDXNWHRSA-N -1 0 230.308 0.696 20 0 BCADRM CCCN(CC(=O)[O-])[C@@H]1CCN(CC)C1=O ZINC000662206897 412026468 /nfs/dbraw/zinc/02/64/68/412026468.db2.gz XGDGTSCLIQCWFW-SECBINFHSA-N -1 0 228.292 0.404 20 0 BCADRM CCN(CC)C(=O)CN(CC)[C@H](C)C(=O)[O-] ZINC000662213850 412027310 /nfs/dbraw/zinc/02/73/10/412027310.db2.gz CJCNMSQOXHEUOP-SECBINFHSA-N -1 0 230.308 0.650 20 0 BCADRM CC[C@@H](C)NC(=O)CN(CC)[C@@H](C)C(=O)[O-] ZINC000662214526 412027662 /nfs/dbraw/zinc/02/76/62/412027662.db2.gz ANHBFDSWTPKOQZ-BDAKNGLRSA-N -1 0 230.308 0.696 20 0 BCADRM CCN(CC(=O)NC1CC1)[C@H](C)C(=O)[O-] ZINC000662216794 412030215 /nfs/dbraw/zinc/03/02/15/412030215.db2.gz OZSMUQTVRIJUPG-SSDOTTSWSA-N -1 0 214.265 0.060 20 0 BCADRM Cc1cccc([C@H]2C(=O)NCCN2CC(=O)[O-])c1 ZINC000662228656 412031633 /nfs/dbraw/zinc/03/16/33/412031633.db2.gz BBWPLELLRFVELP-LBPRGKRZSA-N -1 0 248.282 0.553 20 0 BCADRM CC(C)NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-] ZINC000134069514 412054335 /nfs/dbraw/zinc/05/43/35/412054335.db2.gz KATDDDVUYPRHOP-BQBZGAKWSA-N -1 0 203.238 0.389 20 0 BCADRM CC[C@@H]1CC[C@H](C(=O)N[C@H](C)CC(=O)[O-])O1 ZINC000309596350 171048668 /nfs/dbraw/zinc/04/86/68/171048668.db2.gz IJUMBSFKWKCPJM-IWSPIJDZSA-N -1 0 229.276 0.923 20 0 BCADRM C[C@H](CNC(=O)N1CCSC[C@H]1C)C(=O)[O-] ZINC000069762692 487621905 /nfs/dbraw/zinc/62/19/05/487621905.db2.gz NHLQWAGWHOKYEQ-HTQZYQBOSA-N -1 0 246.332 0.854 20 0 BCADRM CC[C@@H]1COCCN1C(=O)NCCC(=O)[O-] ZINC000040589805 171104384 /nfs/dbraw/zinc/10/43/84/171104384.db2.gz RPDZGIYKLBMBIV-MRVPVSSYSA-N -1 0 230.264 0.282 20 0 BCADRM C/C=C\C[C@H](CO)Nc1cnc(C(=O)[O-])cn1 ZINC000581000315 412070127 /nfs/dbraw/zinc/07/01/27/412070127.db2.gz VOOLTCIJOFBPLX-YAJNLLPGSA-N -1 0 237.259 0.914 20 0 BCADRM CC[C@@](C)(NC(=O)NCCOC(C)C)C(=O)[O-] ZINC000049259316 171172499 /nfs/dbraw/zinc/17/24/99/171172499.db2.gz DFYDSJXWTLOABN-LLVKDONJSA-N -1 0 246.307 0.964 20 0 BCADRM C/C=C\C[C@@H](CO)Nc1ccc(C(=O)[O-])nn1 ZINC000564572765 412070623 /nfs/dbraw/zinc/07/06/23/412070623.db2.gz UWIGJFYJNXBHFT-KZUAUGPASA-N -1 0 237.259 0.914 20 0 BCADRM CC[C@@](C)(O)CNc1cnc(C(=O)[O-])cn1 ZINC000233984893 171185709 /nfs/dbraw/zinc/18/57/09/171185709.db2.gz IRVMJPYZPQZWJQ-SNVBAGLBSA-N -1 0 225.248 0.748 20 0 BCADRM CC[C@H](C(=O)[O-])N(C)CC(=O)NC1CC1 ZINC000049934133 171235833 /nfs/dbraw/zinc/23/58/33/171235833.db2.gz UVAXDRTUIGUALN-MRVPVSSYSA-N -1 0 214.265 0.060 20 0 BCADRM CC[C@H](C(=O)[O-])N1CCN(C2CC2)C(=O)C1 ZINC000331422694 171237873 /nfs/dbraw/zinc/23/78/73/171237873.db2.gz FKBCNRATIKIWSA-SECBINFHSA-N -1 0 226.276 0.156 20 0 BCADRM CC[C@H](C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043700415 171249034 /nfs/dbraw/zinc/24/90/34/171249034.db2.gz GCBUXAHWBITXMS-JGVFFNPUSA-N -1 0 215.249 0.345 20 0 BCADRM CC[C@H](C)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000134410137 171249217 /nfs/dbraw/zinc/24/92/17/171249217.db2.gz BLKHTSZZUIEFAM-DJLDLDEBSA-N -1 0 229.276 0.733 20 0 BCADRM CC[C@H](C)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000122843988 171252022 /nfs/dbraw/zinc/25/20/22/171252022.db2.gz DDJTWLAEWHWCQT-ZETCQYMHSA-N -1 0 240.263 0.025 20 0 BCADRM CC[C@H](C)C(=O)N[C@@](C)(COC)C(=O)[O-] ZINC000133877868 171254155 /nfs/dbraw/zinc/25/41/55/171254155.db2.gz RRNHIFDLGSRAFM-XVKPBYJWSA-N -1 0 217.265 0.638 20 0 BCADRM CC[C@H](C)N(C)C(=O)NCCC(=O)[O-] ZINC000040563490 171303003 /nfs/dbraw/zinc/30/30/03/171303003.db2.gz UKBLRZFNTFUTBF-ZETCQYMHSA-N -1 0 202.254 0.901 20 0 BCADRM CC[C@H](C)N(CC(=O)[O-])S(C)(=O)=O ZINC000037473980 171310742 /nfs/dbraw/zinc/31/07/42/171310742.db2.gz VNBJBNNONBAERR-LURJTMIESA-N -1 0 209.267 0.131 20 0 BCADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1CCOC1 ZINC000040929810 171310994 /nfs/dbraw/zinc/31/09/94/171310994.db2.gz RBOPXSTWLZEQLW-DTWKUNHWSA-N -1 0 229.276 0.735 20 0 BCADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccnnc1 ZINC000135791563 171311017 /nfs/dbraw/zinc/31/10/17/171311017.db2.gz MPLWEYUKIWYZNR-QMMMGPOBSA-N -1 0 237.259 0.802 20 0 BCADRM CC[C@H](C)[C@H](NC(=O)[C@H](C)COC)C(=O)[O-] ZINC000236968323 171398529 /nfs/dbraw/zinc/39/85/29/171398529.db2.gz VAGFIHPFHLNSEQ-YIZRAAEISA-N -1 0 231.292 0.884 20 0 BCADRM CC[C@H](C)[C@H](NC(=O)c1cn(C)cn1)C(=O)[O-] ZINC000234005947 171399264 /nfs/dbraw/zinc/39/92/64/171399264.db2.gz GPDVMDFTEZDNQX-CBAPKCEASA-N -1 0 239.275 0.649 20 0 BCADRM CC[C@H](CO)Nc1cnc(C(=O)[O-])cn1 ZINC000234029568 171454822 /nfs/dbraw/zinc/45/48/22/171454822.db2.gz GMNQZLVINIPJTJ-ZCFIWIBFSA-N -1 0 211.221 0.358 20 0 BCADRM CC[C@H](COC)NC(=O)C1(C(=O)[O-])CC1 ZINC000070659720 171455399 /nfs/dbraw/zinc/45/53/99/171455399.db2.gz ITAVFOFDWJYKLH-SSDOTTSWSA-N -1 0 215.249 0.392 20 0 BCADRM C[C@@]1(O)C[C@H](Nc2nc(C(=O)[O-])co2)C1 ZINC000584413138 412182147 /nfs/dbraw/zinc/18/21/47/412182147.db2.gz VKPGCZZZYXUWKY-LCIHJAJSSA-N -1 0 212.205 0.698 20 0 BCADRM CC(=O)c1ccc(NC[C@@H](C)C(=O)[O-])nc1 ZINC000582244356 412188604 /nfs/dbraw/zinc/18/86/04/412188604.db2.gz XVWLUUULADLYTI-SSDOTTSWSA-N -1 0 222.244 1.417 20 0 BCADRM CC(=O)c1ccc(NCCOCC(=O)[O-])nc1 ZINC000634964523 412189896 /nfs/dbraw/zinc/18/98/96/412189896.db2.gz BOONQDLYIWTDRN-UHFFFAOYSA-N -1 0 238.243 0.797 20 0 BCADRM CC[C@H](NC(=O)C(=O)[O-])[C@@H]1CCCO1 ZINC000336681982 171494829 /nfs/dbraw/zinc/49/48/29/171494829.db2.gz HZWRDNHXRJHCMJ-BQBZGAKWSA-N -1 0 201.222 0.145 20 0 BCADRM C[C@H](CCO)CCNc1ncncc1C(=O)[O-] ZINC000397747877 412198869 /nfs/dbraw/zinc/19/88/69/412198869.db2.gz ZRDGONAKOWBDNY-QMMMGPOBSA-N -1 0 239.275 0.995 20 0 BCADRM CC[C@H](NC(=O)N1CC[C@H](C)C1)C(=O)[O-] ZINC000040725917 171501678 /nfs/dbraw/zinc/50/16/78/171501678.db2.gz ZTFQETUKCNWMDV-YUMQZZPRSA-N -1 0 214.265 0.901 20 0 BCADRM CC[C@H](NC(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000035409705 171508502 /nfs/dbraw/zinc/50/85/02/171508502.db2.gz OCLCANFROCFMKQ-QMMMGPOBSA-N -1 0 239.275 0.630 20 0 BCADRM CC[C@H](NC(=O)c1cccc(O)c1)C(=O)[O-] ZINC000035097744 171510531 /nfs/dbraw/zinc/51/05/31/171510531.db2.gz ACSXIGRRBFDXCC-VIFPVBQESA-N -1 0 223.228 0.985 20 0 BCADRM C[C@@](O)(CNc1ncnc2ccccc21)C(=O)[O-] ZINC000577830592 412171352 /nfs/dbraw/zinc/17/13/52/412171352.db2.gz GMWNOJTVQLMUTF-GFCCVEGCSA-N -1 0 247.254 0.877 20 0 BCADRM CC(C)(CCC(=O)[O-])Nc1ccc(C#N)nn1 ZINC000396576125 412254209 /nfs/dbraw/zinc/25/42/09/412254209.db2.gz QMMYBPDGYXTKPI-UHFFFAOYSA-N -1 0 234.259 1.404 20 0 BCADRM N#Cc1ccc(NCCCC(=O)[O-])nn1 ZINC000396645852 412271255 /nfs/dbraw/zinc/27/12/55/412271255.db2.gz RQJPKYXKFIMAGU-UHFFFAOYSA-N -1 0 206.205 0.625 20 0 BCADRM N#Cc1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)nn1 ZINC000396337545 412274985 /nfs/dbraw/zinc/27/49/85/412274985.db2.gz HHIZKHYRMPXNQI-SFYZADRCSA-N -1 0 232.243 1.013 20 0 BCADRM CNC(=O)[C@H]([N-]c1nnc(C(C)C)o1)C(C)C ZINC000450390830 412286955 /nfs/dbraw/zinc/28/69/55/412286955.db2.gz MOIPOHYEXYMWOV-MRVPVSSYSA-N -1 0 240.307 1.376 20 0 BCADRM C[C@H](Nc1nc(C(=O)[O-])co1)c1ncn(C)n1 ZINC000392089832 412249077 /nfs/dbraw/zinc/24/90/77/412249077.db2.gz ISOXUNMNOXZRJZ-YFKPBYRVSA-N -1 0 237.219 0.674 20 0 BCADRM C[C@H](O)C[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC000397814202 412249087 /nfs/dbraw/zinc/24/90/87/412249087.db2.gz DYWQVQIOJCNZEK-YUMQZZPRSA-N -1 0 239.275 0.994 20 0 BCADRM CC12CC(C1)CN2C(=O)NCCC(=O)[O-] ZINC000665313811 412250942 /nfs/dbraw/zinc/25/09/42/412250942.db2.gz VXRXURDSIVNNCC-UHFFFAOYSA-N -1 0 212.249 0.655 20 0 BCADRM CC(C)[C@@H](CNc1ccc(C#N)nn1)C(=O)[O-] ZINC000396557471 412309072 /nfs/dbraw/zinc/30/90/72/412309072.db2.gz IXMARYLJIVARSF-SECBINFHSA-N -1 0 234.259 1.117 20 0 BCADRM CC(C)[C@H](CO)CNc1ccc(C(=O)[O-])nn1 ZINC000394182363 412316088 /nfs/dbraw/zinc/31/60/88/412316088.db2.gz FAVNCKYBQWAMRH-QMMMGPOBSA-N -1 0 239.275 0.851 20 0 BCADRM Cc1cc(C)nc(NCCCc2n[nH]c(=O)[n-]2)n1 ZINC000427382522 412317113 /nfs/dbraw/zinc/31/71/13/412317113.db2.gz FFSSXKPNEZCGKF-UHFFFAOYSA-N -1 0 248.290 0.962 20 0 BCADRM CC(C)c1nccnc1NC[C@](C)(O)C(=O)[O-] ZINC000572004432 412323902 /nfs/dbraw/zinc/32/39/02/412323902.db2.gz FWXPDGANNMFFTN-NSHDSACASA-N -1 0 239.275 0.848 20 0 BCADRM CC(C)c1nccnc1NC[C@@](C)(O)C(=O)[O-] ZINC000572004431 412323957 /nfs/dbraw/zinc/32/39/57/412323957.db2.gz FWXPDGANNMFFTN-LLVKDONJSA-N -1 0 239.275 0.848 20 0 BCADRM CC(C)c1nnc2c(N[C@H](C)C(=O)[O-])nccn21 ZINC000416396533 412325070 /nfs/dbraw/zinc/32/50/70/412325070.db2.gz CPSCHYWKLXHEBV-SSDOTTSWSA-N -1 0 249.274 1.133 20 0 BCADRM CC/C=C\CNc1ncc(C(=O)[O-])cn1 ZINC000384971584 412327747 /nfs/dbraw/zinc/32/77/47/412327747.db2.gz IMRURWFYNLMYTI-ARJAWSKDSA-N -1 0 207.233 1.553 20 0 BCADRM CC(=O)c1ccnc(N(C)CC(=O)[O-])c1 ZINC000662884414 412334580 /nfs/dbraw/zinc/33/45/80/412334580.db2.gz OIJRCJAEPKSJAL-UHFFFAOYSA-N -1 0 208.217 0.805 20 0 BCADRM CN(Cc1cn(C)nn1)c1ncccc1C(=O)[O-] ZINC000662887478 412335672 /nfs/dbraw/zinc/33/56/72/412335672.db2.gz YRYNJKFDAUEQCA-UHFFFAOYSA-N -1 0 247.258 0.545 20 0 BCADRM Cc1nnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)s1 ZINC000662896088 412337281 /nfs/dbraw/zinc/33/72/81/412337281.db2.gz JUXGQMWEPXRROA-QYNIQEEDSA-N -1 0 243.288 0.483 20 0 BCADRM O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2ccccn2)C1 ZINC000662897747 412339029 /nfs/dbraw/zinc/33/90/29/412339029.db2.gz VTWAHBYMFPTSJW-CIUDSAMLSA-N -1 0 222.244 0.718 20 0 BCADRM CC[C@](C)(NC(=O)c1nccnc1N)C(=O)[O-] ZINC000262091472 171697426 /nfs/dbraw/zinc/69/74/26/171697426.db2.gz GNBGJXIVVJSXBS-JTQLQIEISA-N -1 0 238.247 0.042 20 0 BCADRM CC[C@](C)(NC(=O)c1ocnc1C)C(=O)[O-] ZINC000147258644 171697431 /nfs/dbraw/zinc/69/74/31/171697431.db2.gz VQCVKKREOZDDKG-JTQLQIEISA-N -1 0 226.232 0.966 20 0 BCADRM O=C(Nc1cc(C(F)(F)F)[nH]n1)c1cn[nH]n1 ZINC000448513490 412349713 /nfs/dbraw/zinc/34/97/13/412349713.db2.gz GPJFXYPYCJFWAW-UHFFFAOYSA-N -1 0 246.152 0.799 20 0 BCADRM CCCS(=O)(=O)[N-]c1cncc(OC)n1 ZINC000566314542 412359421 /nfs/dbraw/zinc/35/94/21/412359421.db2.gz XRDGFHMAIZQHPN-UHFFFAOYSA-N -1 0 231.277 0.637 20 0 BCADRM CCC[C@H](CNc1ccc(C(=O)[O-])nn1)OC ZINC000378848417 412365305 /nfs/dbraw/zinc/36/53/05/412365305.db2.gz ULUMSGUHTWCBHS-MRVPVSSYSA-N -1 0 239.275 1.402 20 0 BCADRM 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CC(C)[C@H](O)CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000819962938 585009778 /nfs/dbraw/zinc/00/97/78/585009778.db2.gz YLSRQNXNRPHGGH-DTWKUNHWSA-N -1 0 229.276 0.327 20 0 BCADRM C[C@@H](OC(=O)/C=C/c1cnccn1)C(=O)[O-] ZINC000736685245 585009794 /nfs/dbraw/zinc/00/97/94/585009794.db2.gz PAURZVNBTDHEMM-TYWZFMJISA-N -1 0 222.200 0.506 20 0 BCADRM C[C@@H](OC(=O)c1cnc(N)c(Cl)c1)C(=O)[O-] ZINC000736696645 585010001 /nfs/dbraw/zinc/01/00/01/585010001.db2.gz LROFBWDYJNSULA-SCSAIBSYSA-N -1 0 244.634 0.947 20 0 BCADRM C[C@H](OCC1CC1)C(=O)OCCNC(=O)[O-] ZINC000736696799 585010002 /nfs/dbraw/zinc/01/00/02/585010002.db2.gz NUMJTMUVTSTHNN-ZETCQYMHSA-N -1 0 231.248 0.612 20 0 BCADRM C[C@@H](OCC1CC1)C(=O)OCCNC(=O)[O-] ZINC000736696795 585010003 /nfs/dbraw/zinc/01/00/03/585010003.db2.gz NUMJTMUVTSTHNN-SSDOTTSWSA-N -1 0 231.248 0.612 20 0 BCADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H]1C1CC1 ZINC000888325660 585010362 /nfs/dbraw/zinc/01/03/62/585010362.db2.gz RUTBIOBUKPZWMS-QMMMGPOBSA-N -1 0 236.279 0.131 20 0 BCADRM CC1(COC(=O)CCCNC(=O)[O-])COC1 ZINC000736739218 585011093 /nfs/dbraw/zinc/01/10/93/585011093.db2.gz ZIAZPAAHQWJDCM-UHFFFAOYSA-N -1 0 231.248 0.614 20 0 BCADRM CC1(COC(=O)CCSCC(=O)[O-])COC1 ZINC000736738227 585011114 /nfs/dbraw/zinc/01/11/14/585011114.db2.gz IELHIEGYJYJUBF-UHFFFAOYSA-N -1 0 248.300 0.774 20 0 BCADRM CC(C)(NC(=O)[O-])C(=O)NCC1(C)COC1 ZINC000736738692 585011193 /nfs/dbraw/zinc/01/11/93/585011193.db2.gz VABZWXJWEUXUGW-UHFFFAOYSA-N -1 0 230.264 0.185 20 0 BCADRM CC1(C)CN(C(=O)CCNC(=O)[O-])CCO1 ZINC000736735011 585011234 /nfs/dbraw/zinc/01/12/34/585011234.db2.gz CCFUTSGVJQULTE-UHFFFAOYSA-N -1 0 230.264 0.282 20 0 BCADRM C[C@@H](OC(=O)COC(C)(C)C)C(=O)[O-] ZINC000820173124 585011415 /nfs/dbraw/zinc/01/14/15/585011415.db2.gz ZQYWXFYWQCMUSY-ZCFIWIBFSA-N -1 0 204.222 0.818 20 0 BCADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[O-] ZINC000736745163 585011458 /nfs/dbraw/zinc/01/14/58/585011458.db2.gz AZVITRNZPOWGMQ-PHDIDXHHSA-N -1 0 207.251 0.172 20 0 BCADRM 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O=C([O-])CCCCOC(=O)[C@H]1CCC[C@H]1O ZINC000821520475 585016447 /nfs/dbraw/zinc/01/64/47/585016447.db2.gz ALINIZJYIOOXNZ-DTWKUNHWSA-N -1 0 230.260 0.946 20 0 BCADRM C[C@H]1CSCCN1C(=O)CN(C)C(=O)[O-] ZINC000736825565 585016832 /nfs/dbraw/zinc/01/68/32/585016832.db2.gz NYSROCIMMOOYTJ-ZETCQYMHSA-N -1 0 232.305 0.560 20 0 BCADRM CC[C@@](C)(NC(=O)c1cocn1)C(=O)[O-] ZINC000736861163 585018237 /nfs/dbraw/zinc/01/82/37/585018237.db2.gz GWMTZOSODUKRMS-SECBINFHSA-N -1 0 212.205 0.658 20 0 BCADRM CCC(C)(CC)NC(=O)CNC(=O)[O-] ZINC000736859472 585018244 /nfs/dbraw/zinc/01/82/44/585018244.db2.gz SKNUXRKCRWBFSE-UHFFFAOYSA-N -1 0 202.254 0.949 20 0 BCADRM CC[C@@H](C)[C@H](NC(=O)c1cocn1)C(=O)[O-] ZINC000736880342 585018684 /nfs/dbraw/zinc/01/86/84/585018684.db2.gz OGTRISAOJDYVFX-SVRRBLITSA-N -1 0 226.232 0.904 20 0 BCADRM CC[C@H](CCO)NC(=O)NCCCC(=O)[O-] ZINC000736905414 585019152 /nfs/dbraw/zinc/01/91/52/585019152.db2.gz QZSMQSXHDZUGIX-MRVPVSSYSA-N -1 0 232.280 0.311 20 0 BCADRM CC[C@H]1C[N@H+](CCC(=O)[O-])CCN1CCOC ZINC000736943352 585019580 /nfs/dbraw/zinc/01/95/80/585019580.db2.gz LDWOURAXNUKILE-NSHDSACASA-N -1 0 244.335 0.504 20 0 BCADRM CC[C@@H]1CN(C(=O)CCCNC(=O)[O-])CCO1 ZINC000736941696 585019799 /nfs/dbraw/zinc/01/97/99/585019799.db2.gz ZWSNRCOSZSYECK-SECBINFHSA-N -1 0 244.291 0.672 20 0 BCADRM CC[C@@H](OC)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736929226 585019874 /nfs/dbraw/zinc/01/98/74/585019874.db2.gz ZROYLAMMNJFVIJ-DTWKUNHWSA-N -1 0 244.291 0.670 20 0 BCADRM CCCC(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000736948576 585019997 /nfs/dbraw/zinc/01/99/97/585019997.db2.gz NMUFSUXOQQWFOU-SFYZADRCSA-N -1 0 214.217 0.620 20 0 BCADRM CC/C=C(\C)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736949621 585020058 /nfs/dbraw/zinc/02/00/58/585020058.db2.gz UMTMZQVEENKJLB-GQCTYLIASA-N -1 0 238.247 0.727 20 0 BCADRM CC/C=C(/C)C(=O)N[C@@H](CC(=O)[O-])C(=O)OC ZINC000736948106 585020098 /nfs/dbraw/zinc/02/00/98/585020098.db2.gz IJVJHVUGDCHWFY-TVSKSKRASA-N -1 0 243.259 0.475 20 0 BCADRM CCC[C@@H](O)CNC(=S)NCCCC(=O)[O-] ZINC000736974810 585020877 /nfs/dbraw/zinc/02/08/77/585020877.db2.gz WDGBQFXCKZCUGG-MRVPVSSYSA-N -1 0 248.348 0.476 20 0 BCADRM CCC/C=C/C(=O)N(CC(=O)[O-])CC(=O)OC ZINC000736976244 585020878 /nfs/dbraw/zinc/02/08/78/585020878.db2.gz XMGLAFQGAGPDBV-AATRIKPKSA-N -1 0 243.259 0.429 20 0 BCADRM CCCC[C@@H](COC)NC(=O)CCNC(=O)[O-] ZINC000736983314 585021527 /nfs/dbraw/zinc/02/15/27/585021527.db2.gz ZDNFISCCNMKTRS-VIFPVBQESA-N -1 0 246.307 0.966 20 0 BCADRM CCCCOC(=O)CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000736998543 585022021 /nfs/dbraw/zinc/02/20/21/585022021.db2.gz KYLZRTHLBQCDCH-YUMQZZPRSA-N -1 0 243.259 0.167 20 0 BCADRM C[C@@H](C(=O)[N-]Oc1ccccc1)n1cncn1 ZINC000773471209 585022500 /nfs/dbraw/zinc/02/25/00/585022500.db2.gz YMMIOMPXCQRXKN-VIFPVBQESA-N -1 0 232.243 0.949 20 0 BCADRM CCCOC(=O)[C@@H](C)N1CCC[C@@H]1C(=O)[O-] ZINC000737029345 585022913 /nfs/dbraw/zinc/02/29/13/585022913.db2.gz GXKQFPJSKYVEMN-RKDXNWHRSA-N -1 0 229.276 0.877 20 0 BCADRM CCCOC(=O)[C@H](C)N(CC)CC(=O)[O-] ZINC000737029383 585022942 /nfs/dbraw/zinc/02/29/42/585022942.db2.gz HEYLCZRAEXSLNQ-QMMMGPOBSA-N -1 0 217.265 0.735 20 0 BCADRM CCCNC(=O)[C@H](C)OC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000737030506 585023065 /nfs/dbraw/zinc/02/30/65/585023065.db2.gz RLPMYODVGZDFEY-RNJXMRFFSA-N -1 0 243.259 0.165 20 0 BCADRM CCN(CC(=O)[O-])CN1C[C@@H](C(C)C)CC1=O ZINC000737075332 585024912 /nfs/dbraw/zinc/02/49/12/585024912.db2.gz PWIIRQCWTOKING-JTQLQIEISA-N -1 0 242.319 0.855 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC000737093304 585025615 /nfs/dbraw/zinc/02/56/15/585025615.db2.gz DPQYLYWLHLCOKP-HTQZYQBOSA-N -1 0 243.259 0.119 20 0 BCADRM COC(C)(C)C(=O)NCCSCC(=O)[O-] ZINC000133781677 585025773 /nfs/dbraw/zinc/02/57/73/585025773.db2.gz OUELKYLORJRZLD-UHFFFAOYSA-N -1 0 235.305 0.345 20 0 BCADRM CCOC(=O)[C@@H](C)OC(=O)CCNC(=O)[O-] ZINC000737131480 585026125 /nfs/dbraw/zinc/02/61/25/585026125.db2.gz CFSMTXRETWDPRP-ZCFIWIBFSA-N -1 0 233.220 0.139 20 0 BCADRM CCOC(=O)CCCOC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000737135671 585026159 /nfs/dbraw/zinc/02/61/59/585026159.db2.gz DCFGQTMHDYQFFL-JGVFFNPUSA-N -1 0 244.243 0.594 20 0 BCADRM CCOC(=O)CC(=O)N[C@@](C)(CC)C(=O)[O-] ZINC000737136626 585026181 /nfs/dbraw/zinc/02/61/81/585026181.db2.gz MMBRJMFZDUIMIL-JTQLQIEISA-N -1 0 231.248 0.309 20 0 BCADRM CCOCCCC(=O)OCCNC(=O)[O-] ZINC000737164268 585026505 /nfs/dbraw/zinc/02/65/05/585026505.db2.gz HXAHEZDTUBEGNR-UHFFFAOYSA-N -1 0 219.237 0.614 20 0 BCADRM CCO[C@@H]1C[C@H]1C(=O)OCCNC(=O)[O-] ZINC000737164819 585026611 /nfs/dbraw/zinc/02/66/11/585026611.db2.gz KHNXHTIPYLHXGZ-RNFRBKRXSA-N -1 0 217.221 0.222 20 0 BCADRM CCONC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000737179521 585027002 /nfs/dbraw/zinc/02/70/02/585027002.db2.gz NBROIXLHXNLVGL-ZETCQYMHSA-N -1 0 231.252 0.380 20 0 BCADRM CCc1c(C(=O)OCCNC(=O)[O-])cnn1C ZINC000737251060 585028033 /nfs/dbraw/zinc/02/80/33/585028033.db2.gz NHAZIYGIGIEJOI-UHFFFAOYSA-N -1 0 241.247 0.407 20 0 BCADRM CCc1cc(CNC(=O)CCNC(=O)[O-])[nH]n1 ZINC000737251069 585028111 /nfs/dbraw/zinc/02/81/11/585028111.db2.gz NQVFXCIIVLYISK-UHFFFAOYSA-N -1 0 240.263 0.246 20 0 BCADRM CC(C)(O)CNC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000824034634 585028549 /nfs/dbraw/zinc/02/85/49/585028549.db2.gz GKLXPRVURYBAEY-MRVPVSSYSA-N -1 0 244.291 0.406 20 0 BCADRM C[C@H](CCNC(=O)[C@@]1(C)CCCO1)NC(=O)[O-] ZINC000824786931 585028946 /nfs/dbraw/zinc/02/89/46/585028946.db2.gz RWDBLRKVJOMNBZ-LDYMZIIASA-N -1 0 244.291 0.718 20 0 BCADRM CCc1noc(CCSCC(=O)[O-])n1 ZINC000737292709 585029778 /nfs/dbraw/zinc/02/97/78/585029778.db2.gz RVUHRJOYCJQFNM-UHFFFAOYSA-N -1 0 216.262 0.992 20 0 BCADRM CCn1nccc1NC(=O)CCNC(=O)[O-] ZINC000737311621 585030032 /nfs/dbraw/zinc/03/00/32/585030032.db2.gz BSMTYYSJHNVVMY-UHFFFAOYSA-N -1 0 226.236 0.499 20 0 BCADRM CCn1nc(C)cc1C(=O)O[C@@H](C)C(=O)[O-] ZINC000737312497 585030104 /nfs/dbraw/zinc/03/01/04/585030104.db2.gz SADVGSJUOJFGOE-ZETCQYMHSA-N -1 0 226.232 0.841 20 0 BCADRM CN(C(=O)CCNC(=O)[O-])C1CCC1 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20 0 BCADRM C/C(=C\CSc1nnc(CO)n1C)C(=O)[O-] ZINC000825793262 587339753 /nfs/dbraw/zinc/33/97/53/587339753.db2.gz POWBANPNPVZXSI-ZZXKWVIFSA-N -1 0 243.288 0.430 20 0 BCADRM CC(=O)[C@H](C)SC[C@H](O)CC(=O)[O-] ZINC000825808953 587340064 /nfs/dbraw/zinc/34/00/64/587340064.db2.gz KJKUYBTUPNZSIY-NKWVEPMBSA-N -1 0 206.263 0.533 20 0 BCADRM CC(=O)[C@@H](C)S[C@H](C)C(=O)NCC(=O)[O-] ZINC000825808712 587340185 /nfs/dbraw/zinc/34/01/85/587340185.db2.gz ACZBUNZBPHWSAU-RNFRBKRXSA-N -1 0 233.289 0.286 20 0 BCADRM CC(=O)CCCCn1cnc(C(=O)[O-])n1 ZINC000825813556 587340310 /nfs/dbraw/zinc/34/03/10/587340310.db2.gz NKGULNNICVZYNC-UHFFFAOYSA-N -1 0 211.221 0.736 20 0 BCADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)N(C)C ZINC000825815939 587340426 /nfs/dbraw/zinc/34/04/26/587340426.db2.gz GJZPLOHSMWLYLR-YUMQZZPRSA-N -1 0 229.280 0.789 20 0 BCADRM CC(=O)NC(C)(C)C(=O)OC/C=C(/C)C(=O)[O-] ZINC000825853611 587341417 /nfs/dbraw/zinc/34/14/17/587341417.db2.gz BTZLDHNEGZYEMA-ALCCZGGFSA-N -1 0 243.259 0.475 20 0 BCADRM 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587356683 /nfs/dbraw/zinc/35/66/83/587356683.db2.gz AZFFXCXMACCWBQ-RKDXNWHRSA-N -1 0 244.291 0.622 20 0 BCADRM CC[C@H](O)CCNC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000826625239 587356847 /nfs/dbraw/zinc/35/68/47/587356847.db2.gz CBFMWNMCDJBCKG-IUCAKERBSA-N -1 0 244.291 0.264 20 0 BCADRM CC[C@@H](O)CCCNC(=O)CCNC(=O)[O-] ZINC000826626744 587356928 /nfs/dbraw/zinc/35/69/28/587356928.db2.gz XZCSKJZAILNUQU-MRVPVSSYSA-N -1 0 232.280 0.311 20 0 BCADRM CC[C@@H](O)CCNC(=O)NCCCNC(=O)[O-] ZINC000826625898 587356963 /nfs/dbraw/zinc/35/69/63/587356963.db2.gz LTZQEUHFYWSSKI-MRVPVSSYSA-N -1 0 247.295 0.104 20 0 BCADRM CC[C@H](O)CCNC(=O)[C@H](CC)NC(=O)[O-] ZINC000826625606 587357029 /nfs/dbraw/zinc/35/70/29/587357029.db2.gz GYKKRMPWTDDEBG-YUMQZZPRSA-N -1 0 232.280 0.310 20 0 BCADRM CC[C@H](O)CCCNC(=O)[C@H](CC)NC(=O)[O-] ZINC000826625717 587357103 /nfs/dbraw/zinc/35/71/03/587357103.db2.gz IBVUWPMWQAUPRQ-IUCAKERBSA-N -1 0 246.307 0.700 20 0 BCADRM CCC1(C(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000826638291 587357355 /nfs/dbraw/zinc/35/73/55/587357355.db2.gz CDVQCGKVBOHTBT-UHFFFAOYSA-N -1 0 226.276 0.999 20 0 BCADRM CCC1(C(=O)NCCCN(C)C(=O)[O-])COC1 ZINC000826639536 587357454 /nfs/dbraw/zinc/35/74/54/587357454.db2.gz NVSZPAVDPJFHJM-UHFFFAOYSA-N -1 0 244.291 0.529 20 0 BCADRM CCC1(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000826637865 587357480 /nfs/dbraw/zinc/35/74/80/587357480.db2.gz AGVWZWASRRBRNE-UHFFFAOYSA-N -1 0 212.249 0.655 20 0 BCADRM CC(C)(O)CNC(=O)CCSCC(=O)[O-] ZINC000826636786 587357499 /nfs/dbraw/zinc/35/74/99/587357499.db2.gz LEMIQHZKXYCLHB-UHFFFAOYSA-N -1 0 235.305 0.081 20 0 BCADRM CC(C)=C(C)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000826641650 587357550 /nfs/dbraw/zinc/35/75/50/587357550.db2.gz FTXOIBZVABYZFQ-QMMMGPOBSA-N -1 0 243.259 0.475 20 0 BCADRM CCC1(COC(=O)CN(C)C(=O)[O-])COC1 ZINC000826654428 587357990 /nfs/dbraw/zinc/35/79/90/587357990.db2.gz SJHLGWFPZZUBIE-UHFFFAOYSA-N -1 0 231.248 0.566 20 0 BCADRM CC[C@H]1CC[C@H](C(=O)NCCN(C)C(=O)[O-])O1 ZINC000826660854 587358050 /nfs/dbraw/zinc/35/80/50/587358050.db2.gz NDFZWDWEOAAHJK-DTWKUNHWSA-N -1 0 244.291 0.670 20 0 BCADRM CC[C@@H]1CCC[C@@H]1NC(=O)CNC(=O)[O-] ZINC000826666406 587358557 /nfs/dbraw/zinc/35/85/57/587358557.db2.gz DLMZROIELICTRS-SFYZADRCSA-N -1 0 214.265 0.949 20 0 BCADRM CC[C@H]1CN(C(=O)[C@H](C)NC(=O)[O-])CCS1 ZINC000826676478 587358762 /nfs/dbraw/zinc/35/87/62/587358762.db2.gz YFWQKDHRYGTWKE-YUMQZZPRSA-N -1 0 246.332 0.997 20 0 BCADRM CC[C@@H]1COCCN1C(=O)C[C@@H](C)NC(=O)[O-] ZINC000826699571 587359486 /nfs/dbraw/zinc/35/94/86/587359486.db2.gz MFRVFHMLJZDPPI-RKDXNWHRSA-N -1 0 244.291 0.670 20 0 BCADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H](C)[C@H](C)CO ZINC000826705287 587359564 /nfs/dbraw/zinc/35/95/64/587359564.db2.gz NVPPMQHGTSLOIB-VGMNWLOBSA-N -1 0 246.307 0.412 20 0 BCADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H](C)[C@H](C)CO ZINC000826705286 587359573 /nfs/dbraw/zinc/35/95/73/587359573.db2.gz NVPPMQHGTSLOIB-HLTSFMKQSA-N -1 0 246.307 0.412 20 0 BCADRM CC[C@H]1COCCN1C(=O)C[C@@H](C)NC(=O)[O-] ZINC000826699567 587359622 /nfs/dbraw/zinc/35/96/22/587359622.db2.gz MFRVFHMLJZDPPI-BDAKNGLRSA-N -1 0 244.291 0.670 20 0 BCADRM CCCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826707074 587359811 /nfs/dbraw/zinc/35/98/11/587359811.db2.gz VTHAOWWCMCTWFK-RKDXNWHRSA-N -1 0 244.291 0.670 20 0 BCADRM CCC[C@](C)(O)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000826727698 587360235 /nfs/dbraw/zinc/36/02/35/587360235.db2.gz GRCIHENCRFVBPD-NSHDSACASA-N -1 0 246.307 0.700 20 0 BCADRM CC(C)[C@@H](OC(=O)C[C@@H]1COC(=O)C1)C(=O)[O-] ZINC000826723560 587360297 /nfs/dbraw/zinc/36/02/97/587360297.db2.gz VKKUHQCCUINFQB-GMSGAONNSA-N -1 0 244.243 0.592 20 0 BCADRM CCC[C@](C)(O)C(=O)NCCCNC(=O)[O-] ZINC000826727450 587360310 /nfs/dbraw/zinc/36/03/10/587360310.db2.gz FIEKHTJQTIDGIP-JTQLQIEISA-N -1 0 232.280 0.311 20 0 BCADRM CCC[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000826736986 587360813 /nfs/dbraw/zinc/36/08/13/587360813.db2.gz ZFYXXYWGOXVKPC-CIUDSAMLSA-N -1 0 245.275 0.831 20 0 BCADRM CCC[C@H](CCO)CNC(=O)CN(C)C(=O)[O-] ZINC000826736943 587360825 /nfs/dbraw/zinc/36/08/25/587360825.db2.gz YDGXORPYDWEJLX-SECBINFHSA-N -1 0 246.307 0.511 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N(C)C[C@H](C)O ZINC000826745862 587361043 /nfs/dbraw/zinc/36/10/43/587361043.db2.gz ZWGQQFMJASWCES-JGVFFNPUSA-N -1 0 232.280 0.262 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N(C)CC[C@@H](C)O ZINC000826743709 587361059 /nfs/dbraw/zinc/36/10/59/587361059.db2.gz LJSSVCGESVLKIV-RKDXNWHRSA-N -1 0 246.307 0.652 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](OC)C1 ZINC000826751358 587361073 /nfs/dbraw/zinc/36/10/73/587361073.db2.gz NOJFVXCOVWEHSE-BDAKNGLRSA-N -1 0 244.291 0.670 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@H](C)CCCO ZINC000826751024 587361128 /nfs/dbraw/zinc/36/11/28/587361128.db2.gz LQTZYGWWCPZFCA-BDAKNGLRSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)OCC(=O)C1CC1 ZINC000826758058 587361291 /nfs/dbraw/zinc/36/12/91/587361291.db2.gz LNSAWJMOPIVCHK-MRVPVSSYSA-N -1 0 243.259 0.945 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@H](C)C(=O)OC ZINC000826759496 587361439 /nfs/dbraw/zinc/36/14/39/587361439.db2.gz ZWYBQMFAJWUFRO-RQJHMYQMSA-N -1 0 246.263 0.100 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)OCC(C)=O ZINC000826757699 587361485 /nfs/dbraw/zinc/36/14/85/587361485.db2.gz HSHCSKPJMKNHDQ-ZETCQYMHSA-N -1 0 217.221 0.555 20 0 BCADRM CCC[C@@H](O)CNC(=O)[C@@H](CCC)NC(=O)[O-] ZINC000826764927 587361507 /nfs/dbraw/zinc/36/15/07/587361507.db2.gz MMVTYBDHQPCDNP-RKDXNWHRSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@@H]1C[C@H]1NC(=O)[C@H](C)NC(=O)[O-] ZINC000826769463 587361567 /nfs/dbraw/zinc/36/15/67/587361567.db2.gz QWLGHZGCUDSQKV-XLPZGREQSA-N -1 0 214.265 0.947 20 0 BCADRM CCC[C@@H](O)CNC(=O)CC(C)(C)NC(=O)[O-] ZINC000826764259 587361618 /nfs/dbraw/zinc/36/16/18/587361618.db2.gz IAHKAZHLBMHBBB-MRVPVSSYSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@H](O)CNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000826764882 587361644 /nfs/dbraw/zinc/36/16/44/587361644.db2.gz LVZMEGMRXBFNDY-IUCAKERBSA-N -1 0 246.307 0.510 20 0 BCADRM CCC[C@@H](O)CNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826764586 587361716 /nfs/dbraw/zinc/36/17/16/587361716.db2.gz KETFPYBQAGQBLY-RKDXNWHRSA-N -1 0 244.291 0.264 20 0 BCADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H](C)CCO ZINC000826800618 587362884 /nfs/dbraw/zinc/36/28/84/587362884.db2.gz NQBURHLYKSYQSP-IUCAKERBSA-N -1 0 246.307 0.556 20 0 BCADRM CC(C)C[C@@H](O)CNC(=O)[C@H](C)CC(=O)[O-] ZINC000826806063 587362985 /nfs/dbraw/zinc/36/29/85/587362985.db2.gz CVZGYNNOPAPYRU-RKDXNWHRSA-N -1 0 231.292 0.620 20 0 BCADRM CCCCN(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826829503 587363488 /nfs/dbraw/zinc/36/34/88/587363488.db2.gz BQCYOCWDOCUUQD-VIFPVBQESA-N -1 0 244.291 0.624 20 0 BCADRM CCCCNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000826836112 587363723 /nfs/dbraw/zinc/36/37/23/587363723.db2.gz GKKJQZIPSSJIQW-SSDOTTSWSA-N -1 0 202.254 0.949 20 0 BCADRM CC(C)CN(C)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000826870821 587364514 /nfs/dbraw/zinc/36/45/14/587364514.db2.gz ASNGBNSDLZKOTI-QMMMGPOBSA-N -1 0 237.321 0.625 20 0 BCADRM CCCN(CC)C(=O)COC1CN(C(=O)[O-])C1 ZINC000826903513 587364968 /nfs/dbraw/zinc/36/49/68/587364968.db2.gz JQIJBWPMMYVCMO-UHFFFAOYSA-N -1 0 244.291 0.624 20 0 BCADRM CCCN(CC)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826904639 587365065 /nfs/dbraw/zinc/36/50/65/587365065.db2.gz YPOCYODAMBUKNW-VIFPVBQESA-N -1 0 244.291 0.624 20 0 BCADRM CCCNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000826922090 587365577 /nfs/dbraw/zinc/36/55/77/587365577.db2.gz UCFHHDDAPKQHAQ-QMMMGPOBSA-N -1 0 246.332 0.998 20 0 BCADRM CCCNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826922352 587365673 /nfs/dbraw/zinc/36/56/73/587365673.db2.gz XFKJKECESSSNHT-SFYZADRCSA-N -1 0 214.265 0.949 20 0 BCADRM CCCNC(=O)C(C)(C)CNC(=O)[O-] ZINC000826922512 587365715 /nfs/dbraw/zinc/36/57/15/587365715.db2.gz ZXUIPCRRSBRVJZ-UHFFFAOYSA-N -1 0 202.254 0.806 20 0 BCADRM CCCNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000826921450 587365723 /nfs/dbraw/zinc/36/57/23/587365723.db2.gz NPCCDRCILTXHSU-VIFPVBQESA-N -1 0 218.228 0.605 20 0 BCADRM CCCNC(=O)NC1CN(C(=O)[O-])C1 ZINC000826926040 587365739 /nfs/dbraw/zinc/36/57/39/587365739.db2.gz QCKAIOMPBPNZEN-UHFFFAOYSA-N -1 0 201.226 0.058 20 0 BCADRM CCCNC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000826926033 587365791 /nfs/dbraw/zinc/36/57/91/587365791.db2.gz PZSSSHMLHMZRNM-QMMMGPOBSA-N -1 0 229.280 0.838 20 0 BCADRM CC(C)N(C)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000826930462 587365954 /nfs/dbraw/zinc/36/59/54/587365954.db2.gz QCAXOZRJRTUBTE-UHFFFAOYSA-N -1 0 249.332 0.911 20 0 BCADRM CCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)C(C)C ZINC000826969597 587366878 /nfs/dbraw/zinc/36/68/78/587366878.db2.gz GPVMOECNIMJIES-SECBINFHSA-N -1 0 244.291 0.622 20 0 BCADRM CCCn1cc(NC(=O)[C@H](C)NC(=O)[O-])cn1 ZINC000826958072 587366905 /nfs/dbraw/zinc/36/69/05/587366905.db2.gz DANVBCZBZVFYBR-ZETCQYMHSA-N -1 0 240.263 0.888 20 0 BCADRM CCN(C)C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000826983352 587366970 /nfs/dbraw/zinc/36/69/70/587366970.db2.gz MUERYHJCOXYJAS-MRVPVSSYSA-N -1 0 246.332 0.950 20 0 BCADRM CCN(C(=O)[C@H](C)OC)C1CN(C(=O)[O-])C1 ZINC000826971464 587367064 /nfs/dbraw/zinc/36/70/64/587367064.db2.gz XPAKLEPPDATZKM-ZETCQYMHSA-N -1 0 230.264 0.232 20 0 BCADRM CC(C)NC(=O)CN(C)C(=O)[C@@H](C)CC(=O)[O-] ZINC000826971274 587367132 /nfs/dbraw/zinc/36/71/32/587367132.db2.gz JRFIENNIQPHYHP-QMMMGPOBSA-N -1 0 244.291 0.080 20 0 BCADRM CCN(CC(=O)NCC(O)(CC)CC)C(=O)[O-] ZINC000827002203 587367810 /nfs/dbraw/zinc/36/78/10/587367810.db2.gz IZSFHKPVBDVTNZ-UHFFFAOYSA-N -1 0 246.307 0.654 20 0 BCADRM CCN(CC(=O)N1CCc2ncccc21)C(=O)[O-] ZINC000827002999 587367896 /nfs/dbraw/zinc/36/78/96/587367896.db2.gz YXUJGIYGIOXKKQ-UHFFFAOYSA-N -1 0 249.270 0.971 20 0 BCADRM CCN(CC(=O)OC)C(=O)C[C@H](C)NC(=O)[O-] ZINC000827014687 587367936 /nfs/dbraw/zinc/36/79/36/587367936.db2.gz PVAQOEWLIGBFHD-ZETCQYMHSA-N -1 0 246.263 0.054 20 0 BCADRM CCN(CC(=O)O[C@H](C)[C@H]1CCOC1)C(=O)[O-] ZINC000827014909 587368137 /nfs/dbraw/zinc/36/81/37/587368137.db2.gz ZEYINEHMSBSSDZ-BDAKNGLRSA-N -1 0 245.275 0.955 20 0 BCADRM CCN(CCNC(=O)/C=C/SC)C(=O)[O-] ZINC000827134942 587370790 /nfs/dbraw/zinc/37/07/90/587370790.db2.gz QGVARBZCMIDASR-QPJJXVBHSA-N -1 0 232.305 0.979 20 0 BCADRM CCN(CCOC)C(=O)C1(NC(=O)[O-])CC1 ZINC000827156550 587371525 /nfs/dbraw/zinc/37/15/25/587371525.db2.gz ILPGBWMJWLACIG-UHFFFAOYSA-N -1 0 230.264 0.282 20 0 BCADRM CCN(CCO)C(=O)C1(NC(=O)[O-])CCCC1 ZINC000827156079 587371574 /nfs/dbraw/zinc/37/15/74/587371574.db2.gz AYDNORJPOZIEJN-UHFFFAOYSA-N -1 0 244.291 0.408 20 0 BCADRM CCN(CCO)C(=O)CC(C)(C)NC(=O)[O-] ZINC000827156559 587371601 /nfs/dbraw/zinc/37/16/01/587371601.db2.gz IUACLBAGNPJZBR-UHFFFAOYSA-N -1 0 232.280 0.264 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)N1CCCOC[C@@H]1C ZINC000827256305 587373266 /nfs/dbraw/zinc/37/32/66/587373266.db2.gz IQPDAMULPGXMAI-IUCAKERBSA-N -1 0 229.276 0.735 20 0 BCADRM CCN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827227124 587373358 /nfs/dbraw/zinc/37/33/58/587373358.db2.gz CLHIJZDESBSGKF-JGVFFNPUSA-N -1 0 202.254 0.363 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N(C)C[C@H](O)C1CC1 ZINC000827240065 587373615 /nfs/dbraw/zinc/37/36/15/587373615.db2.gz GVGWAWALCRGIRS-APPZFPTMSA-N -1 0 229.276 0.327 20 0 BCADRM CCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827242152 587373677 /nfs/dbraw/zinc/37/36/77/587373677.db2.gz KQWGBAPFOVHJSE-MRVPVSSYSA-N -1 0 230.264 0.282 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N(C)C[C@@H]1CCCO1 ZINC000827240945 587373801 /nfs/dbraw/zinc/37/38/01/587373801.db2.gz PVKOWGUFLWAXCJ-BDAKNGLRSA-N -1 0 229.276 0.735 20 0 BCADRM C[C@@H](O)C1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000827248264 587373845 /nfs/dbraw/zinc/37/38/45/587373845.db2.gz XBYQNTOKPQLGET-DTWKUNHWSA-N -1 0 243.303 0.717 20 0 BCADRM CCNC(=O)N[C@@H](CNC(=O)[O-])CC(C)C ZINC000827248426 587373871 /nfs/dbraw/zinc/37/38/71/587373871.db2.gz AQAHBXGPTAOGPK-MRVPVSSYSA-N -1 0 231.296 0.988 20 0 BCADRM CCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827249137 587374173 /nfs/dbraw/zinc/37/41/73/587374173.db2.gz INRLQETUFIDMBZ-YUMQZZPRSA-N -1 0 245.279 0.073 20 0 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CCO[C@@H]1C[C@H]1C(=O)NCC(C)(C)NC(=O)[O-] ZINC000827389152 587379449 /nfs/dbraw/zinc/37/94/49/587379449.db2.gz QZVHJIACYKGNIW-HTQZYQBOSA-N -1 0 244.291 0.574 20 0 BCADRM CCOC[C@H]1CCN(C(=O)[C@H](C)NC(=O)[O-])C1 ZINC000827387984 587379498 /nfs/dbraw/zinc/37/94/98/587379498.db2.gz KPRGWRSTWGWQKD-IUCAKERBSA-N -1 0 244.291 0.528 20 0 BCADRM CCONC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000827409880 587379586 /nfs/dbraw/zinc/37/95/86/587379586.db2.gz TWGVOCHXYDYTCJ-SSDOTTSWSA-N -1 0 216.237 0.587 20 0 BCADRM CCOCCC(=O)OC[C@@H](C)NC(=O)[O-] ZINC000827394376 587379732 /nfs/dbraw/zinc/37/97/32/587379732.db2.gz QUCDOZWGUUAQMS-SSDOTTSWSA-N -1 0 219.237 0.612 20 0 BCADRM CCOCCCNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000827399515 587379759 /nfs/dbraw/zinc/37/97/59/587379759.db2.gz IRHPQDOYOMUOGO-VIFPVBQESA-N -1 0 246.307 0.775 20 0 BCADRM CCOCCC(=O)OC1(C)CN(C(=O)[O-])C1 ZINC000827394280 587379769 /nfs/dbraw/zinc/37/97/69/587379769.db2.gz OJMWZXIJCSSBIX-UHFFFAOYSA-N -1 0 231.248 0.709 20 0 BCADRM CCOCCC(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000827394352 587379794 /nfs/dbraw/zinc/37/97/94/587379794.db2.gz QBQIECZJAXVNFZ-VIFPVBQESA-N -1 0 244.291 0.624 20 0 BCADRM CCOCCNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000827400231 587380039 /nfs/dbraw/zinc/38/00/39/587380039.db2.gz ZKNLAZYWFFGPAH-SNVBAGLBSA-N -1 0 248.254 0.231 20 0 BCADRM CCOCCOC(=O)C1(NC(=O)[O-])CC1 ZINC000827404083 587380105 /nfs/dbraw/zinc/38/01/05/587380105.db2.gz CAPKQEPAVAKTAZ-UHFFFAOYSA-N -1 0 217.221 0.366 20 0 BCADRM CCONC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000827408973 587380172 /nfs/dbraw/zinc/38/01/72/587380172.db2.gz KWQVPVCVZOEOJJ-MRVPVSSYSA-N -1 0 245.279 0.722 20 0 BCADRM CCONC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827409339 587380256 /nfs/dbraw/zinc/38/02/56/587380256.db2.gz NKKCIWDHXQHNLY-BQBZGAKWSA-N -1 0 216.237 0.490 20 0 BCADRM CCONC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000827409787 587380266 /nfs/dbraw/zinc/38/02/66/587380266.db2.gz RAOVBXYVOJSWEI-SSDOTTSWSA-N -1 0 231.252 0.380 20 0 BCADRM C[C@H](CCO)CNC(=O)CCSCC(=O)[O-] ZINC000827417739 587380483 /nfs/dbraw/zinc/38/04/83/587380483.db2.gz PNWSQVQSTKDGRR-MRVPVSSYSA-N -1 0 249.332 0.329 20 0 BCADRM C[C@@H](CN(C)c1cc(Cl)nc(N)n1)C(=O)[O-] ZINC000827442239 587381570 /nfs/dbraw/zinc/38/15/70/587381570.db2.gz GZSDOJUENZMTIN-YFKPBYRVSA-N -1 0 244.682 0.869 20 0 BCADRM C[C@H](CNC(=O)CC1(O)CCCCC1)C(=O)[O-] ZINC000827466643 587382269 /nfs/dbraw/zinc/38/22/69/587382269.db2.gz PZZYNBPVADEGFT-SECBINFHSA-N -1 0 243.303 0.909 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N(C)C(C)C ZINC000827513827 587385007 /nfs/dbraw/zinc/38/50/07/587385007.db2.gz GPQNEDAVNUCPGJ-ZETCQYMHSA-N -1 0 202.254 0.899 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N(C)C[C@@H](O)C1CC1 ZINC000827514281 587385078 /nfs/dbraw/zinc/38/50/78/587385078.db2.gz LNBMUZIWFVDIFC-DTWKUNHWSA-N -1 0 244.291 0.262 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N(C)C1CCOCC1 ZINC000827513772 587385261 /nfs/dbraw/zinc/38/52/61/587385261.db2.gz DHADXLJBBWDMEA-VIFPVBQESA-N -1 0 244.291 0.670 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@@]1(C)CCCO1 ZINC000827517701 587385443 /nfs/dbraw/zinc/38/54/43/587385443.db2.gz ALBBUDKHIKQNMK-GZMMTYOYSA-N -1 0 244.291 0.718 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@](C)(O)C1CC1 ZINC000827519803 587385546 /nfs/dbraw/zinc/38/55/46/587385546.db2.gz YBPUPYCLSIHCAC-KWQFWETISA-N -1 0 244.291 0.310 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)NCC1(O)CCC1 ZINC000827518954 587385550 /nfs/dbraw/zinc/38/55/50/587385550.db2.gz POIXJDQRBXJFEZ-ZETCQYMHSA-N -1 0 230.264 0.064 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)NC1CC(C)C1 ZINC000827519761 587385583 /nfs/dbraw/zinc/38/55/83/587385583.db2.gz XCHZYHIXOKSUFD-RRQHEKLDSA-N -1 0 214.265 0.947 20 0 BCADRM C[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C1CC1 ZINC000827551029 587385718 /nfs/dbraw/zinc/38/57/18/587385718.db2.gz DNLXVPWBZROYCA-RNFRBKRXSA-N -1 0 235.305 0.425 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)NCC(O)(CC)CC ZINC000827518564 587385810 /nfs/dbraw/zinc/38/58/10/587385810.db2.gz MEZVDNDWYKVNHN-QMMMGPOBSA-N -1 0 246.307 0.700 20 0 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CC[C@H](NC(=O)[O-])c1nc(N(C)C)no1 ZINC000827552051 587387359 /nfs/dbraw/zinc/38/73/59/587387359.db2.gz UEUKNNXGHMPGFR-YFKPBYRVSA-N -1 0 214.225 0.854 20 0 BCADRM C[C@@H](CS(=O)(=O)N[C@H]1CC=CCC1)C(=O)[O-] ZINC000827551849 587387469 /nfs/dbraw/zinc/38/74/69/587387469.db2.gz HJUXDUWTNFNXBX-IUCAKERBSA-N -1 0 247.316 0.735 20 0 BCADRM C[C@H](CS(=O)(=O)N[C@H]1CC=CCC1)C(=O)[O-] ZINC000827551847 587387750 /nfs/dbraw/zinc/38/77/50/587387750.db2.gz HJUXDUWTNFNXBX-BDAKNGLRSA-N -1 0 247.316 0.735 20 0 BCADRM C[C@@H](CS(=O)(=O)NCCC1CCC1)C(=O)[O-] ZINC000827560095 587388090 /nfs/dbraw/zinc/38/80/90/587388090.db2.gz ZOLGNCFXHUOLPC-QMMMGPOBSA-N -1 0 249.332 0.817 20 0 BCADRM C[C@H](CS(=O)(=O)NCC(C)(C)C)C(=O)[O-] ZINC000827558968 587388125 /nfs/dbraw/zinc/38/81/25/587388125.db2.gz TYYCNEKYUIRFRV-SSDOTTSWSA-N -1 0 237.321 0.673 20 0 BCADRM C[C@H](CS(=O)(=O)NC[C@H]1C[C@@H]1C)C(=O)[O-] ZINC000827558688 587388186 /nfs/dbraw/zinc/38/81/86/587388186.db2.gz QNFVTEPEVJYUID-XLPZGREQSA-N -1 0 235.305 0.283 20 0 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0.855 20 0 BCADRM C[C@H]1C[C@@H](C(=O)OCCNC(=O)[O-])CCO1 ZINC000833589804 587722567 /nfs/dbraw/zinc/72/25/67/587722567.db2.gz MQPCPQRSMZFTBW-YUMQZZPRSA-N -1 0 231.248 0.612 20 0 BCADRM C[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC000833596871 587722818 /nfs/dbraw/zinc/72/28/18/587722818.db2.gz GKTCGJKNXYMGRI-QNSHHTMESA-N -1 0 234.255 0.980 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000833595614 587722855 /nfs/dbraw/zinc/72/28/55/587722855.db2.gz KVJSLVFBLYMJIH-CIUDSAMLSA-N -1 0 244.291 0.574 20 0 BCADRM C[C@@H]1C[C@@H](NC(=O)CN(C)C(=O)[O-])C[C@H](C)O1 ZINC000833597972 587722990 /nfs/dbraw/zinc/72/29/90/587722990.db2.gz SMVZZQLPHRIULN-AYMMMOKOSA-N -1 0 244.291 0.668 20 0 BCADRM C[C@H]1CC/C(=C/C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC000833600813 587723007 /nfs/dbraw/zinc/72/30/07/587723007.db2.gz HXOOJWCZVOGPSC-FUMWUMAXSA-N -1 0 227.260 0.295 20 0 BCADRM C[C@H]1CC[C@H](COC(=O)CNC(=O)[O-])O1 ZINC000833602707 587723293 /nfs/dbraw/zinc/72/32/93/587723293.db2.gz KPYIVIMHBBXMCH-NKWVEPMBSA-N -1 0 217.221 0.365 20 0 BCADRM C[C@@H]1OCC[C@]1(C)NC(=O)CN(C)C(=O)[O-] ZINC000833633311 587723337 /nfs/dbraw/zinc/72/33/37/587723337.db2.gz DXXFXQKIIPSXGJ-XVKPBYJWSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@@H]1CC[C@H](C(=O)OCC(=O)NCC(=O)[O-])C1 ZINC000833604854 587723352 /nfs/dbraw/zinc/72/33/52/587723352.db2.gz HJTZCQLLLKKNKC-SFYZADRCSA-N -1 0 243.259 0.167 20 0 BCADRM C[C@@H]1CC[C@@H](COC(=O)CCNC(=O)[O-])O1 ZINC000833602644 587723403 /nfs/dbraw/zinc/72/34/03/587723403.db2.gz JTFUMVGDBUXTNK-SFYZADRCSA-N -1 0 231.248 0.755 20 0 BCADRM C[C@@H]1CC[C@@H](COC(=O)CNC(=O)[O-])O1 ZINC000833602709 587723436 /nfs/dbraw/zinc/72/34/36/587723436.db2.gz KPYIVIMHBBXMCH-RQJHMYQMSA-N -1 0 217.221 0.365 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)NC[C@@H]1C[C@@H]1C ZINC000833605791 587723896 /nfs/dbraw/zinc/72/38/96/587723896.db2.gz SNPWLSMREFYRBZ-ACZMJKKPSA-N -1 0 200.238 0.415 20 0 BCADRM C[C@@H]1CCN(Cn2cnc(C(=O)[O-])n2)C[C@H]1F ZINC000833615420 587724043 /nfs/dbraw/zinc/72/40/43/587724043.db2.gz CUNHXKMKRAETMB-HTQZYQBOSA-N -1 0 242.254 0.614 20 0 BCADRM C[C@H]1CCN(Cn2cnc(C(=O)[O-])n2)C[C@@H]1F ZINC000833615427 587724084 /nfs/dbraw/zinc/72/40/84/587724084.db2.gz CUNHXKMKRAETMB-YUMQZZPRSA-N -1 0 242.254 0.614 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](C)C1 ZINC000833614646 587724283 /nfs/dbraw/zinc/72/42/83/587724283.db2.gz QYIGVRJUTMGOPB-YUMQZZPRSA-N -1 0 214.265 0.901 20 0 BCADRM C[C@@H]1CN([C@H](C(=O)[O-])c2cccnc2)C[C@H]1O ZINC000833619231 587724293 /nfs/dbraw/zinc/72/42/93/587724293.db2.gz ABZPESOOCWJVHR-IEBDPFPHSA-N -1 0 236.271 0.520 20 0 BCADRM C[C@H]1CCN(Cn2cnc(C(=O)[O-])n2)C[C@H]1C ZINC000833615502 587724486 /nfs/dbraw/zinc/72/44/86/587724486.db2.gz FQMUETNYFBCRIH-DTWKUNHWSA-N -1 0 238.291 0.912 20 0 BCADRM C[C@H]1CN(Cn2cc(C(=O)[O-])nn2)CC[C@@H]1C ZINC000833615711 587724577 /nfs/dbraw/zinc/72/45/77/587724577.db2.gz IWHOAMYYQHFUHV-IUCAKERBSA-N -1 0 238.291 0.912 20 0 BCADRM C[C@H]1CN(C(=O)C2(C)COC2)C[C@H]1C(=O)[O-] ZINC000833617382 587725195 /nfs/dbraw/zinc/72/51/95/587725195.db2.gz CUZYMZRRUYECOA-JGVFFNPUSA-N -1 0 227.260 0.202 20 0 BCADRM C[C@@H]1OCC[C@H]1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833633283 587725578 /nfs/dbraw/zinc/72/55/78/587725578.db2.gz DIEDJUWFLJGFQH-VAOFZXAKSA-N -1 0 245.250 0.437 20 0 BCADRM CC[C@](C)(NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C(=O)[O-] ZINC000833637204 587725582 /nfs/dbraw/zinc/72/55/82/587725582.db2.gz HMFHBUHSPAHCQM-HNBLOZHYSA-N -1 0 241.287 0.781 20 0 BCADRM CC[C@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)OC ZINC000833644634 587725928 /nfs/dbraw/zinc/72/59/28/587725928.db2.gz CHYJKAZCHDTGCD-WDSKDSINSA-N -1 0 233.220 0.137 20 0 BCADRM CC[C@@H](C)[C@H](C)C(=O)NC[C@H](O)C(=O)[O-] ZINC000833639354 587725968 /nfs/dbraw/zinc/72/59/68/587725968.db2.gz TWKXOGRRSQSRAR-CSMHCCOUSA-N -1 0 217.265 0.230 20 0 BCADRM CC[C@@](C)(NC(=O)C[C@@H](O)C(C)C)C(=O)[O-] ZINC000833639140 587726087 /nfs/dbraw/zinc/72/60/87/587726087.db2.gz ZGFMVQSWTHYRTM-LDYMZIIASA-N -1 0 231.292 0.763 20 0 BCADRM CC[C@@H](OC(=O)c1c(C)noc1N)C(=O)[O-] ZINC000833645202 587726367 /nfs/dbraw/zinc/72/63/67/587726367.db2.gz HQBSEZGYQSSDDO-RXMQYKEDSA-N -1 0 228.204 0.585 20 0 BCADRM CCC[C@@](C)(CO)NC(=O)CN(C)C(=O)[O-] ZINC000833648047 587726487 /nfs/dbraw/zinc/72/64/87/587726487.db2.gz OEDOIENBIDOTSV-JTQLQIEISA-N -1 0 232.280 0.264 20 0 BCADRM CC[C@@H](OC(=O)[C@@H]1CCCO1)C(=O)[O-] ZINC000833646972 587726650 /nfs/dbraw/zinc/72/66/50/587726650.db2.gz WBVVXVTVRGZSNR-RQJHMYQMSA-N -1 0 202.206 0.572 20 0 BCADRM CC[C@@H](OC(=O)CN(C)C(=O)C1CC1)C(=O)[O-] ZINC000833647039 587726666 /nfs/dbraw/zinc/72/66/66/587726666.db2.gz ZUCCONUYXIDWIY-MRVPVSSYSA-N -1 0 243.259 0.261 20 0 BCADRM CCOC(=O)C(C)(C)C(=O)OCCCC(=O)[O-] ZINC000833655457 587726807 /nfs/dbraw/zinc/72/68/07/587726807.db2.gz ANLWCGYCANUBQI-UHFFFAOYSA-N -1 0 246.259 0.984 20 0 BCADRM CCCn1c(C)nnc1CNC(C)(C)C(=O)[O-] ZINC000833652570 587726836 /nfs/dbraw/zinc/72/68/36/587726836.db2.gz LQGGTACIRSDZQX-UHFFFAOYSA-N -1 0 240.307 0.949 20 0 BCADRM CCC[C@](C)(CO)NC(=O)CN(C)C(=O)[O-] ZINC000833648048 587727171 /nfs/dbraw/zinc/72/71/71/587727171.db2.gz OEDOIENBIDOTSV-SNVBAGLBSA-N -1 0 232.280 0.264 20 0 BCADRM CN([C@H](C(=O)[O-])c1cccnc1)[C@@H]1CCNC1=O ZINC000833691132 587727806 /nfs/dbraw/zinc/72/78/06/587727806.db2.gz KBHXOWXDIOWLTQ-ZJUUUORDSA-N -1 0 249.270 0.028 20 0 BCADRM CN(C)C(=O)CN(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833692520 587728209 /nfs/dbraw/zinc/72/82/09/587728209.db2.gz YDYFWPXLSKFGRU-UHFFFAOYSA-N -1 0 239.275 0.233 20 0 BCADRM C[N@H+](CC(=O)[O-])Cc1ccc(C(=O)[O-])cc1 ZINC000833691883 587728432 /nfs/dbraw/zinc/72/84/32/587728432.db2.gz YRDHSOQADDMOFM-UHFFFAOYSA-N -1 0 223.228 0.901 20 0 BCADRM CN(CC1CCOCC1)C(=O)CCNC(=O)[O-] ZINC000833693375 587728513 /nfs/dbraw/zinc/72/85/13/587728513.db2.gz VLKHRPGIWLKOCS-UHFFFAOYSA-N -1 0 244.291 0.529 20 0 BCADRM CN(CCO)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833693611 587728767 /nfs/dbraw/zinc/72/87/67/587728767.db2.gz HFICUSNWMNKWEK-UHFFFAOYSA-N -1 0 241.218 0.588 20 0 BCADRM COC[C@@](C)(CC(=O)[O-])NC(=O)C1=CCC1 ZINC000833721220 587729028 /nfs/dbraw/zinc/72/90/28/587729028.db2.gz RCNUGLVRAKQOJJ-LLVKDONJSA-N -1 0 227.260 0.703 20 0 BCADRM CO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC000833718150 587729086 /nfs/dbraw/zinc/72/90/86/587729086.db2.gz DBOVXCONKHKQGQ-VXNVDRBHSA-N -1 0 238.243 0.358 20 0 BCADRM COCCC[C@@H](C)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000833725440 587729555 /nfs/dbraw/zinc/72/95/55/587729555.db2.gz XXSFLGIMEVQWLX-RKDXNWHRSA-N -1 0 231.292 0.886 20 0 BCADRM CC(C)CNC(=O)N[C@@H](C)CCNC(=O)[O-] ZINC000833797311 587730240 /nfs/dbraw/zinc/73/02/40/587730240.db2.gz VNRQTUYCAXJPKL-QMMMGPOBSA-N -1 0 231.296 0.988 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)OC1CCOCC1 ZINC000833740673 587730412 /nfs/dbraw/zinc/73/04/12/587730412.db2.gz QJRLSMUHAVAAJL-LURJTMIESA-N -1 0 217.221 0.365 20 0 BCADRM C[C@@H](O)CNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833739039 587730481 /nfs/dbraw/zinc/73/04/81/587730481.db2.gz ANTBDSCNYYBQNN-MRVPVSSYSA-N -1 0 237.255 0.424 20 0 BCADRM O=C([O-])CCSCCNC(=O)c1cnco1 ZINC000833775141 587730646 /nfs/dbraw/zinc/73/06/46/587730646.db2.gz YNZLEPUJINKXAI-UHFFFAOYSA-N -1 0 244.272 0.612 20 0 BCADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCCCO)C1CC1 ZINC000833771921 587730948 /nfs/dbraw/zinc/73/09/48/587730948.db2.gz UONOTNVMWRLSHM-UWVGGRQHSA-N -1 0 241.287 0.471 20 0 BCADRM O=C([O-])NCCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000833777330 587731365 /nfs/dbraw/zinc/73/13/65/587731365.db2.gz NOSOTHYPZJXYIM-SECBINFHSA-N -1 0 242.275 0.282 20 0 BCADRM O=C([O-])N1CC[C@H](OC(=O)C2=COCC2)C1 ZINC000833787249 587731935 /nfs/dbraw/zinc/73/19/35/587731935.db2.gz ZRNPHNZFNIWHKQ-QMMMGPOBSA-N -1 0 227.216 0.586 20 0 BCADRM CC(C)C[C@@H]1NC(=O)N(CCNC(=O)[O-])C1=O ZINC000833795004 587732496 /nfs/dbraw/zinc/73/24/96/587732496.db2.gz CYPZKHSOEZEDBA-ZETCQYMHSA-N -1 0 243.263 0.221 20 0 BCADRM C[C@H](CC(=O)OCc1ccnn1C)NC(=O)[O-] ZINC000833802083 587732898 /nfs/dbraw/zinc/73/28/98/587732898.db2.gz OCYOFDINVKBGIK-SSDOTTSWSA-N -1 0 241.247 0.510 20 0 BCADRM C[C@H](CNC(=O)[O-])CNC(=O)NCCCF ZINC000833808800 587733247 /nfs/dbraw/zinc/73/32/47/587733247.db2.gz QLHKIAJEJAZNJP-ZETCQYMHSA-N -1 0 235.259 0.549 20 0 BCADRM C[C@@H](COC(=O)CNC(=O)[O-])C(F)(F)F ZINC000833808768 587733298 /nfs/dbraw/zinc/73/32/98/587733298.db2.gz MDKXLSGJARVWQB-BYPYZUCNSA-N -1 0 229.154 0.996 20 0 BCADRM C[C@H](CNC(=O)[O-])CNC(=O)NCC1CC1 ZINC000833808096 587733306 /nfs/dbraw/zinc/73/33/06/587733306.db2.gz NRWDUXDTQJRXAN-ZETCQYMHSA-N -1 0 229.280 0.599 20 0 BCADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@@H]1C[C@@H]1C ZINC000833808710 587733650 /nfs/dbraw/zinc/73/36/50/587733650.db2.gz QCGMONDCHGCBPU-CIUDSAMLSA-N -1 0 243.307 0.845 20 0 BCADRM C[C@H](CNC(=O)[O-])CNC(=O)CC(F)(F)F ZINC000833811018 587733894 /nfs/dbraw/zinc/73/38/94/587733894.db2.gz WYUCKMTYEHIHBK-YFKPBYRVSA-N -1 0 242.197 0.959 20 0 BCADRM C[C@@H](COC(=O)C1(C)COC1)NC(=O)[O-] ZINC000833810613 587734162 /nfs/dbraw/zinc/73/41/62/587734162.db2.gz ZEUFGNWHXCIUTO-LURJTMIESA-N -1 0 217.221 0.222 20 0 BCADRM C[C@H]1C[C@H](CNC(=O)[O-])CN1C(N)=O ZINC000833828011 587734667 /nfs/dbraw/zinc/73/46/67/587734667.db2.gz CSLVCKHHRJKUKI-NTSWFWBYSA-N -1 0 201.226 0.043 20 0 BCADRM CC[C@@]1(C(=O)NCCCO)CCCN1C(=O)[O-] ZINC000833842895 587735322 /nfs/dbraw/zinc/73/53/22/587735322.db2.gz BCNCYJPMMWPBPO-NSHDSACASA-N -1 0 244.291 0.408 20 0 BCADRM CCCCCN(CCO)C(=O)CNC(=O)[O-] ZINC000833853709 587735980 /nfs/dbraw/zinc/73/59/80/587735980.db2.gz SFNVBSAJTKHQNM-UHFFFAOYSA-N -1 0 232.280 0.265 20 0 BCADRM CC[C@@]1(C)COCCN1C(=O)[C@H](C)NC(=O)[O-] ZINC000833844107 587735948 /nfs/dbraw/zinc/73/59/48/587735948.db2.gz GFWVCVGCAMMCNI-KWQFWETISA-N -1 0 244.291 0.670 20 0 BCADRM CC[C@]1(C)COCCN1C(=O)CNC(=O)[O-] ZINC000833847393 587736019 /nfs/dbraw/zinc/73/60/19/587736019.db2.gz YHPHWXZEDUIPBL-SNVBAGLBSA-N -1 0 230.264 0.282 20 0 BCADRM CCN(CCCO)C(=O)CN(CC)C(=O)[O-] ZINC000833856432 587736400 /nfs/dbraw/zinc/73/64/00/587736400.db2.gz IOQOCCGTXKUTIZ-UHFFFAOYSA-N -1 0 232.280 0.217 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N1CC[C@H](CCO)C1 ZINC000833864141 587736721 /nfs/dbraw/zinc/73/67/21/587736721.db2.gz IUPDJJYNIRPQHA-BDAKNGLRSA-N -1 0 244.291 0.264 20 0 BCADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N[C@H]1CCOC1 ZINC000833865400 587736736 /nfs/dbraw/zinc/73/67/36/587736736.db2.gz YVZQMHMFILUEGT-CIUDSAMLSA-N -1 0 244.291 0.574 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H](C)[C@H](C)CO ZINC000833864711 587736816 /nfs/dbraw/zinc/73/68/16/587736816.db2.gz URWKNRPZTNZHPD-PRJMDXOYSA-N -1 0 232.280 0.166 20 0 BCADRM CCS(=O)(=O)CC1CCN(C(=O)[O-])CC1 ZINC000833863568 587736907 /nfs/dbraw/zinc/73/69/07/587736907.db2.gz QAMDNPFXOMZZFF-UHFFFAOYSA-N -1 0 235.305 0.811 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@]1(C)CCCOC1 ZINC000833864140 587736947 /nfs/dbraw/zinc/73/69/47/587736947.db2.gz ITLOZTIBXLJPPZ-KWQFWETISA-N -1 0 244.291 0.718 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000833864829 587737003 /nfs/dbraw/zinc/73/70/03/587737003.db2.gz XHILHFWDDCNVTL-YIZRAAEISA-N -1 0 244.291 0.262 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H](C)C[C@@H](C)O ZINC000833864749 587737021 /nfs/dbraw/zinc/73/70/21/587737021.db2.gz VIYPFEBFWLHUOR-PRJMDXOYSA-N -1 0 232.280 0.308 20 0 BCADRM CS[C@@H](C)C(=O)NC[C@H](NC(=O)[O-])C1CC1 ZINC000833893946 587737285 /nfs/dbraw/zinc/73/72/85/587737285.db2.gz TVXFCAJDBQJSKI-XPUUQOCRSA-N -1 0 246.332 0.900 20 0 BCADRM CN(CCNc1cncc2ncnn21)C(=O)[O-] ZINC000833872238 587737575 /nfs/dbraw/zinc/73/75/75/587737575.db2.gz IASBTDSESWQQKW-UHFFFAOYSA-N -1 0 236.235 0.146 20 0 BCADRM CN(CCN(C)C(=O)c1cnccn1)C(=O)[O-] ZINC000833874120 587737854 /nfs/dbraw/zinc/73/78/54/587737854.db2.gz ZCNKWXBTSRSLGS-UHFFFAOYSA-N -1 0 238.247 0.158 20 0 BCADRM CNC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)[O-] ZINC000833879621 587738051 /nfs/dbraw/zinc/73/80/51/587738051.db2.gz YHKZPAGDDZGQCX-GMSGAONNSA-N -1 0 214.265 0.949 20 0 BCADRM CS[C@@H](C)CC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000833893216 587738463 /nfs/dbraw/zinc/73/84/63/587738463.db2.gz LBJZJPYEFTXMBG-YUMQZZPRSA-N -1 0 246.332 0.997 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249.266 0.578 20 0 BCADRM C[C@@H]1C[C@@H](NC(=O)N[C@@H](CF)C(=O)[O-])CCO1 ZINC000909035818 639122003 /nfs/dbraw/zinc/12/20/03/639122003.db2.gz QKOLDLIEUZCLSJ-CSMHCCOUSA-N -1 0 248.254 0.276 20 0 BCADRM CSCC[C@@H](O)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000909039718 639122211 /nfs/dbraw/zinc/12/22/11/639122211.db2.gz PJESKFQKJDFFSG-HTQZYQBOSA-N -1 0 247.316 0.080 20 0 BCADRM COC[C@H](C)[C@H](C)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000909041479 639123212 /nfs/dbraw/zinc/12/32/12/639123212.db2.gz YQNTZKMWCQKKGP-NRPADANISA-N -1 0 243.303 0.884 20 0 BCADRM O=C([O-])[C@@H](CF)NC(=O)N[C@H]1CC12CCC2 ZINC000909042134 639123250 /nfs/dbraw/zinc/12/32/50/639123250.db2.gz ZWDIGAHTFLFUNK-RQJHMYQMSA-N -1 0 230.239 0.651 20 0 BCADRM Cc1nc(C(=O)N[C@H](C(=O)[O-])C2CC2)c(C)o1 ZINC000909041784 639123496 /nfs/dbraw/zinc/12/34/96/639123496.db2.gz MRVXWHUFMLHANI-VIFPVBQESA-N -1 0 238.243 0.884 20 0 BCADRM Cc1ncc(C(=O)N[C@H](C(=O)[O-])C2CC2)n1C ZINC000909043260 639124942 /nfs/dbraw/zinc/12/49/42/639124942.db2.gz 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ZINC000909130779 639153425 /nfs/dbraw/zinc/15/34/25/639153425.db2.gz NLGKZMBOCUVPLB-RXMQYKEDSA-N -1 0 244.272 0.492 20 0 BCADRM CCC[C@@H](OC)C(=O)N[C@@H](C)C(=O)[O-] ZINC000909130766 639153948 /nfs/dbraw/zinc/15/39/48/639153948.db2.gz NFUZOCMYUCUMFM-NKWVEPMBSA-N -1 0 203.238 0.391 20 0 BCADRM C[C@@H](NC(=O)[C@H]1CCOC2(CCC2)C1)C(=O)[O-] ZINC000909130602 639153981 /nfs/dbraw/zinc/15/39/81/639153981.db2.gz CNTAGMBJFYWKGG-BDAKNGLRSA-N -1 0 241.287 0.925 20 0 BCADRM Cc1nsc(C)c1C(=O)N[C@H](C)C(=O)[O-] ZINC000909130740 639153991 /nfs/dbraw/zinc/15/39/91/639153991.db2.gz MPPFHBAEYQVDSF-RXMQYKEDSA-N -1 0 228.273 0.963 20 0 BCADRM C[C@H](NC(=O)Cc1ccc2n[nH]cc2c1)C(=O)[O-] ZINC000909131624 639154309 /nfs/dbraw/zinc/15/43/09/639154309.db2.gz VVJINZZTLXHBCP-ZETCQYMHSA-N -1 0 247.254 0.695 20 0 BCADRM C[C@@H](NC(=O)c1cnc(C2CC2)o1)C(=O)[O-] ZINC000909132661 639154457 /nfs/dbraw/zinc/15/44/57/639154457.db2.gz WRKAZUGOSSPDRM-RXMQYKEDSA-N -1 0 224.216 0.755 20 0 BCADRM 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ZINC000659771282 411448838 /nfs/dbraw/zinc/44/88/38/411448838.db2.gz LKGBBTGMYDJZGX-ZCFIWIBFSA-N -1 0 225.248 0.653 20 0 BCADRM CCn1cnc(C(=O)N(C)[C@@H](C)C(=O)[O-])c1 ZINC000659762569 411449205 /nfs/dbraw/zinc/44/92/05/411449205.db2.gz KXFMHQOKRLVUIY-ZETCQYMHSA-N -1 0 225.248 0.448 20 0 BCADRM Cc1ccncc1CC(=O)N(C)CCC(=O)[O-] ZINC000659762338 411449578 /nfs/dbraw/zinc/44/95/78/411449578.db2.gz WTYDTYGASZNHQI-UHFFFAOYSA-N -1 0 236.271 0.866 20 0 BCADRM CO[C@@H](C(=O)N(C)CCC(=O)[O-])C1CCC1 ZINC000659761635 411449752 /nfs/dbraw/zinc/44/97/52/411449752.db2.gz CTJHCMJTJNRDQB-SNVBAGLBSA-N -1 0 229.276 0.735 20 0 BCADRM Cc1ccncc1CC(=O)N[C@H](C)C(=O)[O-] ZINC000659761469 411450072 /nfs/dbraw/zinc/45/00/72/411450072.db2.gz KACZFLKSXIJSFY-MRVPVSSYSA-N -1 0 222.244 0.522 20 0 BCADRM C[C@](O)(CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)[O-] ZINC000659765853 411450442 /nfs/dbraw/zinc/45/04/42/411450442.db2.gz LCVPOQYVIWAUQI-XBWDGYHZSA-N -1 0 241.287 0.374 20 0 BCADRM Cc1ccoc1CC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000659764805 411450591 /nfs/dbraw/zinc/45/05/91/411450591.db2.gz FLTPZEYCRSARDI-LLVKDONJSA-N -1 0 241.243 0.082 20 0 BCADRM C[C@](O)(CNC(=O)[C@@H]1CCC[C@H]2C[C@H]21)C(=O)[O-] ZINC000659765843 411450919 /nfs/dbraw/zinc/45/09/19/411450919.db2.gz LCVPOQYVIWAUQI-HAYRHPOISA-N -1 0 241.287 0.374 20 0 BCADRM CC[C@H](NC(=O)c1cn(CC)cn1)C(=O)[O-] ZINC000659765924 411451069 /nfs/dbraw/zinc/45/10/69/411451069.db2.gz ZPAUCEOYLMDKAJ-ZETCQYMHSA-N -1 0 225.248 0.496 20 0 BCADRM CCN(C(=O)C[C@H]1CCCO1)[C@@H](C)C(=O)[O-] ZINC000659768111 411451097 /nfs/dbraw/zinc/45/10/97/411451097.db2.gz BATNNBIGTWLDRI-DTWKUNHWSA-N -1 0 229.276 0.877 20 0 BCADRM O=C([O-])c1cnc(N[C@@H]2CCOC2)nc1 ZINC000306981031 411464210 /nfs/dbraw/zinc/46/42/10/411464210.db2.gz GGDBOABZLKLWKU-SSDOTTSWSA-N -1 0 209.205 0.376 20 0 BCADRM CCN(C(=O)COC(C)C)[C@@H](C)C(=O)[O-] ZINC000659772686 411451297 /nfs/dbraw/zinc/45/12/97/411451297.db2.gz QJCNJMAFXNGAMH-QMMMGPOBSA-N -1 0 217.265 0.733 20 0 BCADRM CCN(C(=O)c1c[nH]c(C)n1)[C@@H](C)C(=O)[O-] ZINC000659771279 411451418 /nfs/dbraw/zinc/45/14/18/411451418.db2.gz LKGBBTGMYDJZGX-LURJTMIESA-N -1 0 225.248 0.653 20 0 BCADRM CCN(C(=O)c1cc(C)n(C)n1)[C@@H](C)C(=O)[O-] ZINC000659770834 411451434 /nfs/dbraw/zinc/45/14/34/411451434.db2.gz HMLNJBLXADYWRB-QMMMGPOBSA-N -1 0 239.275 0.664 20 0 BCADRM CCN(C(=O)Cn1cc(C)cn1)[C@@H](C)C(=O)[O-] ZINC000659771108 411451662 /nfs/dbraw/zinc/45/16/62/411451662.db2.gz JIQMXDZFWPVPIT-VIFPVBQESA-N -1 0 239.275 0.513 20 0 BCADRM CCC(=O)N[C@H](C)C(=O)N(CC)[C@@H](C)C(=O)[O-] ZINC000659770438 411451697 /nfs/dbraw/zinc/45/16/97/411451697.db2.gz BTUDKYRTURZXET-SFYZADRCSA-N -1 0 244.291 0.223 20 0 BCADRM CCN(C(=O)Cc1ccnn1C)[C@@H](C)C(=O)[O-] ZINC000659771791 411451791 /nfs/dbraw/zinc/45/17/91/411451791.db2.gz VQHWYRFSQGTFBD-QMMMGPOBSA-N -1 0 239.275 0.284 20 0 BCADRM CCN(C(=O)COC(C)C)[C@H](C)C(=O)[O-] ZINC000659772685 411451900 /nfs/dbraw/zinc/45/19/00/411451900.db2.gz QJCNJMAFXNGAMH-MRVPVSSYSA-N -1 0 217.265 0.733 20 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229.276 0.640 20 0 BCADRM C[C@@H](CNC(=O)[C@@H](O)C1CCCCC1)C(=O)[O-] ZINC000655561273 411509874 /nfs/dbraw/zinc/50/98/74/411509874.db2.gz YKPWYQANAIQPNH-WPRPVWTQSA-N -1 0 243.303 0.765 20 0 BCADRM CCN1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC000077342302 169982163 /nfs/dbraw/zinc/98/21/63/169982163.db2.gz LMIJHFPBJWMUCI-UHFFFAOYSA-N -1 0 228.292 0.261 20 0 BCADRM CN(C(=O)[C@H]1CCCCO1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659231469 411464796 /nfs/dbraw/zinc/46/47/96/411464796.db2.gz PVSCYCABAPSTRW-KXUCPTDWSA-N -1 0 241.287 0.877 20 0 BCADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCOC2)C1 ZINC000131680769 411539999 /nfs/dbraw/zinc/53/99/99/411539999.db2.gz CSYPNBZSIJNGJA-IVZWLZJFSA-N -1 0 241.287 0.783 20 0 BCADRM CCn1[n-]c(-c2ccccc2)c(C(N)=O)c1=O ZINC000155616557 170040560 /nfs/dbraw/zinc/04/05/60/170040560.db2.gz IVUGHBSQRNBYIF-VIFPVBQESA-N -1 0 231.255 0.354 20 0 BCADRM CCNC(=O)CCCC(=O)NC[C@H](C)C(=O)[O-] ZINC000236877420 170049390 /nfs/dbraw/zinc/04/93/90/170049390.db2.gz KKIKHIWDZDONRI-QMMMGPOBSA-N -1 0 244.291 0.130 20 0 BCADRM CCNC(=O)CN1CCCC[C@H]1C(=O)[O-] ZINC000035297491 170058965 /nfs/dbraw/zinc/05/89/65/170058965.db2.gz ICKAWUHOADEJPP-QMMMGPOBSA-N -1 0 214.265 0.062 20 0 BCADRM CCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000062922531 170074672 /nfs/dbraw/zinc/07/46/72/170074672.db2.gz JGUHIWJJGZCOSK-SECBINFHSA-N -1 0 200.238 0.513 20 0 BCADRM CCNC(=O)c1c(C(C)C)[n-]n(C)c1=O ZINC000271113365 170099620 /nfs/dbraw/zinc/09/96/20/170099620.db2.gz HXAMZPUWCXHBJP-ZETCQYMHSA-N -1 0 211.265 0.223 20 0 BCADRM CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000020004768 170136332 /nfs/dbraw/zinc/13/63/32/170136332.db2.gz HMRUQFFDUMPRHJ-UHFFFAOYSA-N -1 0 243.284 0.991 20 0 BCADRM CCOC(=O)C[N-]C(=O)C(F)(F)C(F)F ZINC000226612152 170222188 /nfs/dbraw/zinc/22/21/88/170222188.db2.gz WZLBFUBXYBGIGF-UHFFFAOYSA-N -1 0 231.145 0.566 20 0 BCADRM CCOCC(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000038025888 170340089 /nfs/dbraw/zinc/34/00/89/170340089.db2.gz LILBEDZDCBRVBJ-VIFPVBQESA-N -1 0 229.276 0.879 20 0 BCADRM CCOCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000020250389 170340472 /nfs/dbraw/zinc/34/04/72/170340472.db2.gz GSRTUGIGNOOFHN-QMMMGPOBSA-N -1 0 215.249 0.489 20 0 BCADRM CCOCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000020250254 170340853 /nfs/dbraw/zinc/34/08/53/170340853.db2.gz XNTFBDJGWUCYJZ-SSDOTTSWSA-N -1 0 201.222 0.099 20 0 BCADRM CCOCCC(=O)N(CC)CC(=O)[O-] ZINC000053732798 170357634 /nfs/dbraw/zinc/35/76/34/170357634.db2.gz NHADHNPUCIITAU-UHFFFAOYSA-N -1 0 203.238 0.346 20 0 BCADRM CCOCCC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000128271601 170358321 /nfs/dbraw/zinc/35/83/21/170358321.db2.gz GBPSGACJRJKDIR-SECBINFHSA-N -1 0 245.275 0.115 20 0 BCADRM CCOCCC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000124189902 170359466 /nfs/dbraw/zinc/35/94/66/170359466.db2.gz RMPDZWAOTJHJID-JTQLQIEISA-N -1 0 233.239 0.438 20 0 BCADRM CCOCCC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000054504245 170361763 /nfs/dbraw/zinc/36/17/63/170361763.db2.gz MSAKDMAFVXJALJ-SECBINFHSA-N -1 0 215.249 0.392 20 0 BCADRM CCOCCCC(=O)NCCSCC(=O)[O-] ZINC000124113859 170365445 /nfs/dbraw/zinc/36/54/45/170365445.db2.gz AHDPQTACZAPXBE-UHFFFAOYSA-N -1 0 249.332 0.737 20 0 BCADRM CCOCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037461411 170378777 /nfs/dbraw/zinc/37/87/77/170378777.db2.gz PWQAAXCFGIEJTR-SFYZADRCSA-N -1 0 215.249 0.250 20 0 BCADRM CCO[C@@H]1C[C@H]1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000123843749 170493866 /nfs/dbraw/zinc/49/38/66/170493866.db2.gz HFVTWIKTJOKPEP-XLPZGREQSA-N -1 0 215.249 0.391 20 0 BCADRM CCO[C@H](C)C(=O)N(CC)CCC(=O)[O-] ZINC000236907090 170496936 /nfs/dbraw/zinc/49/69/36/170496936.db2.gz BEJGSFHSTXMDIN-MRVPVSSYSA-N -1 0 217.265 0.735 20 0 BCADRM CCO[C@H](C)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000236908343 170497125 /nfs/dbraw/zinc/49/71/25/170497125.db2.gz BBFRJJOCUUJFCK-BDAKNGLRSA-N -1 0 229.276 0.735 20 0 BCADRM CN(Cc1n[n-]c(=O)o1)Cc1nccn1C ZINC000660842741 411652695 /nfs/dbraw/zinc/65/26/95/411652695.db2.gz QPUJNOSGXDUJRZ-UHFFFAOYSA-N -1 0 223.236 0.141 20 0 BCADRM COc1cc(CN(C)Cc2n[n-]c(=O)o2)on1 ZINC000660842694 411652746 /nfs/dbraw/zinc/65/27/46/411652746.db2.gz QBJURKUBDREVES-UHFFFAOYSA-N -1 0 240.219 0.404 20 0 BCADRM CCO[C@H]1C[C@H](N(C)C(=O)C(=O)[O-])C12CCC2 ZINC000364028280 170510289 /nfs/dbraw/zinc/51/02/89/170510289.db2.gz JKGWKQHWTGEFTC-IUCAKERBSA-N -1 0 241.287 0.877 20 0 BCADRM C[C@@H](c1cnccn1)N(C)Cc1n[n-]c(=O)o1 ZINC000660844050 411653346 /nfs/dbraw/zinc/65/33/46/411653346.db2.gz FWMMUJBNJWDBCP-ZETCQYMHSA-N -1 0 235.247 0.758 20 0 BCADRM CN(Cc1cnns1)Cc1n[n-]c(=O)o1 ZINC000660843511 411653764 /nfs/dbraw/zinc/65/37/64/411653764.db2.gz ZVMYOKQFDDYVLK-UHFFFAOYSA-N -1 0 227.249 0.259 20 0 BCADRM CCO[C@H]1C[C@H]1C(=O)NC1(C(=O)[O-])CCC1 ZINC000133832854 170511136 /nfs/dbraw/zinc/51/11/36/170511136.db2.gz BLLRUSLCNVYKCV-SFYZADRCSA-N -1 0 227.260 0.535 20 0 BCADRM COCc1cc(C(=O)[N-]c2nncs2)no1 ZINC000361339735 411654565 /nfs/dbraw/zinc/65/45/65/411654565.db2.gz SRFSEOZRRCWVGP-UHFFFAOYSA-N -1 0 240.244 0.925 20 0 BCADRM CCCCNC(=O)CN(C)Cc1n[n-]c(=O)o1 ZINC000660852159 411659358 /nfs/dbraw/zinc/65/93/58/411659358.db2.gz OGLRDWWZCZZUQH-UHFFFAOYSA-N -1 0 242.279 0.123 20 0 BCADRM O=C([O-])COCCNc1ncc(Cl)cn1 ZINC000634964747 411662557 /nfs/dbraw/zinc/66/25/57/411662557.db2.gz KVIYMXBWCAOOHN-UHFFFAOYSA-N -1 0 231.639 0.643 20 0 BCADRM O=C([O-])c1ccc(NC[C@H](CO)C2CC2)nn1 ZINC000572124308 411664248 /nfs/dbraw/zinc/66/42/48/411664248.db2.gz QEGWVYZRIUZQDC-MRVPVSSYSA-N -1 0 237.259 0.605 20 0 BCADRM O=C([O-])c1ccc(NCCCCF)nn1 ZINC000389574837 411664271 /nfs/dbraw/zinc/66/42/71/411664271.db2.gz CGFMWVUARPKBJH-UHFFFAOYSA-N -1 0 213.212 1.336 20 0 BCADRM O=C([O-])c1cnc(NCCC2(O)CCC2)nc1 ZINC000398245911 411666383 /nfs/dbraw/zinc/66/63/83/411666383.db2.gz HWSCYTOIGMJMOG-UHFFFAOYSA-N -1 0 237.259 0.892 20 0 BCADRM O=C([O-])c1cnc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)cn1 ZINC000562782440 411666479 /nfs/dbraw/zinc/66/64/79/411666479.db2.gz SCYJHXHYYGBAAN-XKSSXDPKSA-N -1 0 249.270 1.154 20 0 BCADRM O=C([O-])c1coc(N[C@@H]2CCC[C@@H]2CCO)n1 ZINC000563959397 411666536 /nfs/dbraw/zinc/66/65/36/411666536.db2.gz HHTWUUIDSSALNU-HTQZYQBOSA-N -1 0 240.259 1.336 20 0 BCADRM O=C([O-])c1coc(N[C@H](CO)CC(F)F)n1 ZINC000578196296 411666762 /nfs/dbraw/zinc/66/67/62/411666762.db2.gz CHJSWKXPUHRKAR-BYPYZUCNSA-N -1 0 236.174 0.801 20 0 BCADRM O=C([O-])c1coc(N[C@H]2CC[C@H](O)CC2)n1 ZINC000571644780 411666808 /nfs/dbraw/zinc/66/68/08/411666808.db2.gz FNZMEYOEZSNSQO-KNVOCYPGSA-N -1 0 226.232 1.088 20 0 BCADRM O=C([O-])c1cnc(N[C@H]2CCC[C@H]2F)cn1 ZINC000416423290 411666859 /nfs/dbraw/zinc/66/68/59/411666859.db2.gz UEJORXOGDIZUCG-RQJHMYQMSA-N -1 0 225.223 1.477 20 0 BCADRM O=C([O-])c1coc(N[C@H]2CCC[C@H]2CCO)n1 ZINC000563959411 411666892 /nfs/dbraw/zinc/66/68/92/411666892.db2.gz HHTWUUIDSSALNU-YUMQZZPRSA-N -1 0 240.259 1.336 20 0 BCADRM O=C([O-])c1cnc(NCCC2(O)CCC2)s1 ZINC000398277469 411667775 /nfs/dbraw/zinc/66/77/75/411667775.db2.gz LRDKLTFOFNZROS-UHFFFAOYSA-N -1 0 242.300 1.558 20 0 BCADRM 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0.735 20 0 BCADRM CO[C@@](C)(C(=O)[O-])C(=O)N(C)CC(F)(F)F ZINC000663061892 412377153 /nfs/dbraw/zinc/37/71/53/412377153.db2.gz WHLHOTZKWPUQKV-SSDOTTSWSA-N -1 0 243.181 0.497 20 0 BCADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H]1CC12CC2 ZINC000663059316 412377212 /nfs/dbraw/zinc/37/72/12/412377212.db2.gz UTSZZBSVESKZEL-HZGVNTEJSA-N -1 0 213.233 0.145 20 0 BCADRM Cc1nccnc1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000663053728 412377406 /nfs/dbraw/zinc/37/74/06/412377406.db2.gz FDRXCJKQAWYTJY-SSDOTTSWSA-N -1 0 237.259 0.578 20 0 BCADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@H]1CC12CC2 ZINC000663059317 412377530 /nfs/dbraw/zinc/37/75/30/412377530.db2.gz UTSZZBSVESKZEL-IMTBSYHQSA-N -1 0 213.233 0.145 20 0 BCADRM O=C([O-])[C@H](C(=O)N[C@@H]1CC12CC2)C1CC1 ZINC000663058693 412377608 /nfs/dbraw/zinc/37/76/08/412377608.db2.gz QHADQKQMPMQGGP-SFYZADRCSA-N -1 0 209.245 0.766 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@@H](C)C1CC1 ZINC000663062951 412377625 /nfs/dbraw/zinc/37/76/25/412377625.db2.gz OYAHKAFHOLOLOI-HQJQHLMTSA-N 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229.276 0.374 20 0 BCADRM COCCCCNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663070268 412379857 /nfs/dbraw/zinc/37/98/57/412379857.db2.gz QPENNKYDMQDLBF-VIFPVBQESA-N -1 0 229.276 0.640 20 0 BCADRM CCn1nccc1NC(=O)[C@](C)(OC)C(=O)[O-] ZINC000663075087 412380240 /nfs/dbraw/zinc/38/02/40/412380240.db2.gz JOPCGWASPJDQPC-JTQLQIEISA-N -1 0 241.247 0.331 20 0 BCADRM C[C@@H]1C[C@H]1CNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663077717 412380514 /nfs/dbraw/zinc/38/05/14/412380514.db2.gz BRFKNZIGZLVPHI-YEPSODPASA-N -1 0 211.261 0.869 20 0 BCADRM Cc1cc(NC(=O)[C@H](C(=O)[O-])C2CC2)ccn1 ZINC000663077918 412380601 /nfs/dbraw/zinc/38/06/01/412380601.db2.gz FHXADKLKVXZCFA-SNVBAGLBSA-N -1 0 234.255 0.861 20 0 BCADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1cc[nH]n1 ZINC000663078744 412381183 /nfs/dbraw/zinc/38/11/83/412381183.db2.gz IQQXMIGGRFFZML-NSHDSACASA-N -1 0 237.259 0.527 20 0 BCADRM Cn1nccc1NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663080074 412381400 /nfs/dbraw/zinc/38/14/00/412381400.db2.gz OYTAHCYOKPIYGV-MRVPVSSYSA-N -1 0 223.232 0.469 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@@H](C)C1 ZINC000663080493 412381430 /nfs/dbraw/zinc/38/14/30/412381430.db2.gz POLFJBPSWYQCGE-XCBNKYQSSA-N -1 0 215.249 0.345 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ncc(C)s1 ZINC000663081037 412381447 /nfs/dbraw/zinc/38/14/47/412381447.db2.gz TUEJFQFHXMNAKR-VIFPVBQESA-N -1 0 244.272 0.880 20 0 BCADRM CCC[C@H](O)CNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663082051 412381517 /nfs/dbraw/zinc/38/15/17/412381517.db2.gz ZTMLRZWANDYOFH-IUCAKERBSA-N -1 0 229.276 0.374 20 0 BCADRM Cn1cc(NC(=O)C2(C(=O)[O-])CC=CC2)cn1 ZINC000663082280 412381528 /nfs/dbraw/zinc/38/15/28/412381528.db2.gz RVQAZCAQBKYZDC-UHFFFAOYSA-N -1 0 235.243 0.780 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)NC(C1CC1)C1CC1 ZINC000663083407 412381928 /nfs/dbraw/zinc/38/19/28/412381928.db2.gz AVNDIHCQVHNKMY-LBPRGKRZSA-N -1 0 241.287 0.781 20 0 BCADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCOCC1 ZINC000663084783 412381944 /nfs/dbraw/zinc/38/19/44/412381944.db2.gz AKDQOKKFXSHLOD-NSHDSACASA-N -1 0 227.260 0.346 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000663087458 412382046 /nfs/dbraw/zinc/38/20/46/412382046.db2.gz WQOCSZCDMXQEKH-FYBVGQRMSA-N -1 0 229.276 0.733 20 0 BCADRM CCCCNC(=O)[C@](C)(OC)C(=O)[O-] ZINC000663084830 412382096 /nfs/dbraw/zinc/38/20/96/412382096.db2.gz BCQOSDQKPKVQDM-VIFPVBQESA-N -1 0 203.238 0.392 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@H](C)[C@@H]1C ZINC000663087459 412382453 /nfs/dbraw/zinc/38/24/53/412382453.db2.gz WQOCSZCDMXQEKH-LAEOZQHASA-N -1 0 229.276 0.733 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000663085522 412382465 /nfs/dbraw/zinc/38/24/65/412382465.db2.gz GYRCPUUZCSTFCO-SXMVTHIZSA-N -1 0 241.287 0.591 20 0 BCADRM Cc1cc(CNC(=O)[C@@H](C(=O)[O-])C2CC2)[nH]n1 ZINC000663091447 412382831 /nfs/dbraw/zinc/38/28/31/412382831.db2.gz HKMLUJZBUDQNFC-VIFPVBQESA-N -1 0 237.259 0.445 20 0 BCADRM CC(C)[C@H](CCO)NC(=O)C1(C(=O)[O-])CCC1 ZINC000663092740 412382955 /nfs/dbraw/zinc/38/29/55/412382955.db2.gz 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412384999 /nfs/dbraw/zinc/38/49/99/412384999.db2.gz SASFPBOTNGLKJF-LLVKDONJSA-N -1 0 238.243 0.818 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCOC(C)(C)C1 ZINC000663116244 412385104 /nfs/dbraw/zinc/38/51/04/412385104.db2.gz FYKZHVSTXOFHQU-NSHDSACASA-N -1 0 245.275 0.114 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663116500 412385149 /nfs/dbraw/zinc/38/51/49/412385149.db2.gz HZXQOWKYBFTDFQ-PJFCORBGSA-N -1 0 227.260 0.391 20 0 BCADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CC=CC2)CCO1 ZINC000663117010 412385226 /nfs/dbraw/zinc/38/52/26/412385226.db2.gz UITRWOYFVFRCAH-VIFPVBQESA-N -1 0 239.271 0.655 20 0 BCADRM Cc1nc[nH]c1CNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663103762 412385232 /nfs/dbraw/zinc/38/52/32/412385232.db2.gz DWHTXYRIDIGXCX-VIFPVBQESA-N -1 0 237.259 0.445 20 0 BCADRM CC(C)[C@@H](CO)NC(=O)C1(C(=O)[O-])CC=CC1 ZINC000663121214 412385785 /nfs/dbraw/zinc/38/57/85/412385785.db2.gz HMLNHXGSJHGHSD-SECBINFHSA-N -1 0 241.287 0.541 20 0 BCADRM 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CC[C@H](NC(=O)c1cc(COC)on1)C(=O)[O-] ZINC000090253285 487925689 /nfs/dbraw/zinc/92/56/89/487925689.db2.gz PDMLUVHSEYLTHC-ZETCQYMHSA-N -1 0 242.231 0.414 20 0 BCADRM CCCc1nsc(NCc2nnn[n-]2)n1 ZINC000083654960 487927010 /nfs/dbraw/zinc/92/70/10/487927010.db2.gz YCRYLHHUEUPGMB-UHFFFAOYSA-N -1 0 225.281 0.616 20 0 BCADRM C[C@@H]1C[C@H](C)CN1C(=O)c1cc(=O)n(C)[n-]1 ZINC000669067079 487928416 /nfs/dbraw/zinc/92/84/16/487928416.db2.gz WNDYEPLAKBEGQN-JGVFFNPUSA-N -1 0 223.276 0.996 20 0 BCADRM O=C(NCc1cccc(F)c1)c1n[nH]c(=O)[n-]1 ZINC000048733765 487930358 /nfs/dbraw/zinc/93/03/58/487930358.db2.gz JUTFNGHBSODZJX-UHFFFAOYSA-N -1 0 236.206 0.167 20 0 BCADRM Cc1[nH]nc(C(=O)N(CCO)C2CCC2)c1[O-] ZINC000682252455 487934716 /nfs/dbraw/zinc/93/47/16/487934716.db2.gz PZRXDHCFFIUWAS-UHFFFAOYSA-N -1 0 239.275 0.411 20 0 BCADRM CC[C@H](O)CCCNC(=O)CCC(=O)[O-] ZINC000308858733 487938346 /nfs/dbraw/zinc/93/83/46/487938346.db2.gz QTLNKWRKVJIXOK-QMMMGPOBSA-N -1 0 217.265 0.519 20 0 BCADRM 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/nfs/dbraw/zinc/34/74/67/587347467.db2.gz BMHOTZNIRRKGAM-SFYZADRCSA-N -1 0 242.275 0.422 20 0 BCADRM C[C@@H]1CN(C(=O)CCNC(=O)[O-])C[C@H]1C ZINC000825982998 587347678 /nfs/dbraw/zinc/34/76/78/587347678.db2.gz FZWGFHFIBZLFQK-HTQZYQBOSA-N -1 0 214.265 0.759 20 0 BCADRM C[C@@H]1CN(C(=O)CNC(=O)[O-])C(C)(C)C1 ZINC000825982772 587347692 /nfs/dbraw/zinc/34/76/92/587347692.db2.gz CTVXHPJZWYHQAG-ZETCQYMHSA-N -1 0 214.265 0.901 20 0 BCADRM C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)C1CC1 ZINC000825986080 587347790 /nfs/dbraw/zinc/34/77/90/587347790.db2.gz NHXSWELRBAPJNB-UHFFFAOYSA-N -1 0 230.275 0.856 20 0 BCADRM C[C@H]1CN(C(=O)NCC2CC2)CCN1C(=O)[O-] ZINC000825995370 587347906 /nfs/dbraw/zinc/34/79/06/587347906.db2.gz GSDCFOAHKRYGCU-QMMMGPOBSA-N -1 0 241.291 0.790 20 0 BCADRM C[C@H](C(=O)NC1CC1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000825999670 587348082 /nfs/dbraw/zinc/34/80/82/587348082.db2.gz GVQONRCBWAFCJE-HQJQHLMTSA-N -1 0 244.266 0.152 20 0 BCADRM C[C@H](C(=O)NCC(=O)[O-])N1Cc2ccccc2C1 ZINC000826004948 587348258 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/nfs/dbraw/zinc/35/07/25/587350725.db2.gz DIIFYSKTYAKTBE-QMMMGPOBSA-N -1 0 230.264 0.282 20 0 BCADRM C[C@H]1OCCN(C(=O)C2(NC(=O)[O-])CC2)[C@@H]1C ZINC000826126694 587350855 /nfs/dbraw/zinc/35/08/55/587350855.db2.gz PXFBIJKDXVWNCZ-HTQZYQBOSA-N -1 0 242.275 0.422 20 0 BCADRM CC(C)(C)C(=O)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000826126509 587351042 /nfs/dbraw/zinc/35/10/42/587351042.db2.gz DYECQWOTKSPAMI-MRVPVSSYSA-N -1 0 241.287 0.971 20 0 BCADRM C[C@@H]1OCCN(C(=O)CCCNC(=O)[O-])[C@H]1C ZINC000826133618 587351068 /nfs/dbraw/zinc/35/10/68/587351068.db2.gz PIRKQLSXUMAPDF-IUCAKERBSA-N -1 0 244.291 0.670 20 0 BCADRM CC(C)(CNC(=O)C1CCC(=O)CC1)C(=O)[O-] ZINC000826559257 587354781 /nfs/dbraw/zinc/35/47/81/587354781.db2.gz MBMPQBOFOYJAMU-UHFFFAOYSA-N -1 0 241.287 0.973 20 0 BCADRM CC[C@H](COC)NC(=O)CC1CN(C(=O)[O-])C1 ZINC000826587302 587355799 /nfs/dbraw/zinc/35/57/99/587355799.db2.gz RMJDMDAYTVTIEH-SECBINFHSA-N -1 0 244.291 0.528 20 0 BCADRM CC[C@@H](NC(=O)C[C@@H](C)NC(=O)[O-])C(=O)OC ZINC000826593956 587355984 /nfs/dbraw/zinc/35/59/84/587355984.db2.gz SBTKIXXDUAQLJF-RNFRBKRXSA-N -1 0 246.263 0.100 20 0 BCADRM CCC(O)(CC)CNC(=O)C[C@H](C)NC(=O)[O-] ZINC000826618501 587356513 /nfs/dbraw/zinc/35/65/13/587356513.db2.gz GDHJONFUUKFBPI-QMMMGPOBSA-N -1 0 246.307 0.700 20 0 BCADRM CC(C)(NC(=O)CCOCC1CC1)C(=O)[O-] ZINC000826616441 587356553 /nfs/dbraw/zinc/35/65/53/587356553.db2.gz GPBHOFQVRRLEAJ-UHFFFAOYSA-N -1 0 229.276 0.783 20 0 BCADRM CC[C@@H](O)CCNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000826626624 587356879 /nfs/dbraw/zinc/35/68/79/587356879.db2.gz WWVHRKNTEBLPDT-HTQZYQBOSA-N -1 0 232.280 0.310 20 0 BCADRM CC[C@@H](O)CCCNC(=O)C1(NC(=O)[O-])CC1 ZINC000826626454 587356951 /nfs/dbraw/zinc/35/69/51/587356951.db2.gz VHQNVSKONZSHDJ-MRVPVSSYSA-N -1 0 244.291 0.454 20 0 BCADRM CC[C@H](O)CCNC(=O)C(C)(C)CNC(=O)[O-] ZINC000826625028 587356976 /nfs/dbraw/zinc/35/69/76/587356976.db2.gz AEEMCYVQIPHHRR-QMMMGPOBSA-N -1 0 246.307 0.557 20 0 BCADRM CC[C@@H](O)CCNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826625241 587356996 /nfs/dbraw/zinc/35/69/96/587356996.db2.gz CBFMWNMCDJBCKG-RKDXNWHRSA-N -1 0 244.291 0.264 20 0 BCADRM CC[C@H](O)CCNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000826626081 587357016 /nfs/dbraw/zinc/35/70/16/587357016.db2.gz PZNVXNOLVWTHRF-IUCAKERBSA-N -1 0 246.307 0.510 20 0 BCADRM CC[C@H](O)CCNC(=O)C[C@H](C)NC(=O)[O-] ZINC000826626627 587357032 /nfs/dbraw/zinc/35/70/32/587357032.db2.gz WWVHRKNTEBLPDT-YUMQZZPRSA-N -1 0 232.280 0.310 20 0 BCADRM CC[C@@H](O)CCNC(=O)C1(NC(=O)[O-])CC1 ZINC000826626000 587357051 /nfs/dbraw/zinc/35/70/51/587357051.db2.gz OGVPQOXNSLCHBV-SSDOTTSWSA-N -1 0 230.264 0.064 20 0 BCADRM CC[C@H](O)CCNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000826625306 587357057 /nfs/dbraw/zinc/35/70/57/587357057.db2.gz CWVDUVTVNRIYNZ-IUCAKERBSA-N -1 0 246.307 0.556 20 0 BCADRM CC[C@H](O)CCCNC(=O)[C@@H](C)NC(=O)[O-] ZINC000826625277 587357079 /nfs/dbraw/zinc/35/70/79/587357079.db2.gz CKSUXVIQXOAPGM-SFYZADRCSA-N -1 0 232.280 0.310 20 0 BCADRM CCC1(C(=O)NCCCNC(=O)[O-])CC1 ZINC000826638735 587357411 /nfs/dbraw/zinc/35/74/11/587357411.db2.gz GPZIFTBONNRDGY-UHFFFAOYSA-N -1 0 214.265 0.951 20 0 BCADRM CCC1(NC(=O)NC2CN(C(=O)[O-])C2)CCC1 ZINC000826653487 587357873 /nfs/dbraw/zinc/35/78/73/587357873.db2.gz AYMWWUSZKGLUEJ-UHFFFAOYSA-N -1 0 241.291 0.981 20 0 BCADRM CCC1(NC(=O)CNC(=O)[O-])CCC1 ZINC000826653783 587358017 /nfs/dbraw/zinc/35/80/17/587358017.db2.gz GUMYALTUBVVDEP-UHFFFAOYSA-N -1 0 200.238 0.703 20 0 BCADRM CC[C@H]1CC[C@@H](C(=O)OCCNC(=O)[O-])O1 ZINC000826662602 587358309 /nfs/dbraw/zinc/35/83/09/587358309.db2.gz ZFIZBTAGUZRUPI-YUMQZZPRSA-N -1 0 231.248 0.755 20 0 BCADRM O=C(N[C@H]1C[C@H](O)C1)c1cccc(F)c1[O-] ZINC000826664732 587358390 /nfs/dbraw/zinc/35/83/90/587358390.db2.gz HULRMEUAXZAYEW-LJGSYFOKSA-N -1 0 225.219 0.784 20 0 BCADRM CC[C@H]1CC[C@H](C(=O)NC2CN(C(=O)[O-])C2)O1 ZINC000826662564 587358466 /nfs/dbraw/zinc/35/84/66/587358466.db2.gz YTEPHSUDYBWVDF-DTWKUNHWSA-N -1 0 242.275 0.422 20 0 BCADRM CC[C@H]1CCC[C@@H]1NC(=O)CNC(=O)[O-] ZINC000826666407 587358544 /nfs/dbraw/zinc/35/85/44/587358544.db2.gz DLMZROIELICTRS-YUMQZZPRSA-N -1 0 214.265 0.949 20 0 BCADRM CC[C@@H]1CCN(C(=O)COCCNC(=O)[O-])C1 ZINC000826674829 587358772 /nfs/dbraw/zinc/35/87/72/587358772.db2.gz BTFDFPQWHHYXKT-SECBINFHSA-N -1 0 244.291 0.529 20 0 BCADRM CC[C@H]1CN(C(=O)[C@@H](C)NC(=O)[O-])CCS1 ZINC000826676477 587358900 /nfs/dbraw/zinc/35/89/00/587358900.db2.gz YFWQKDHRYGTWKE-SFYZADRCSA-N -1 0 246.332 0.997 20 0 BCADRM CC[C@@H]1CN(C(=O)C[C@@H](C)NC(=O)[O-])CCO1 ZINC000826682742 587358951 /nfs/dbraw/zinc/35/89/51/587358951.db2.gz OXURBLBVVAPEHS-RKDXNWHRSA-N -1 0 244.291 0.670 20 0 BCADRM CC[C@H]1COCCN1C(=O)C[C@H](C)NC(=O)[O-] ZINC000826699570 587359515 /nfs/dbraw/zinc/35/95/15/587359515.db2.gz MFRVFHMLJZDPPI-IUCAKERBSA-N -1 0 244.291 0.670 20 0 BCADRM CCC[C@](C)(NC(=O)[O-])C(=O)NCCCO ZINC000826719741 587360128 /nfs/dbraw/zinc/36/01/28/587360128.db2.gz AZBZTQDJKLJWQV-JTQLQIEISA-N -1 0 232.280 0.311 20 0 BCADRM CCC[C@@](C)(O)CNC(=O)C1(NC(=O)[O-])CC1 ZINC000826726933 587360143 /nfs/dbraw/zinc/36/01/43/587360143.db2.gz AOTBHWHWPLHNPB-SNVBAGLBSA-N -1 0 244.291 0.454 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N(C)CC(C)(C)O ZINC000826743530 587360163 /nfs/dbraw/zinc/36/01/63/587360163.db2.gz KCQFVCVYRAFDGB-MRVPVSSYSA-N -1 0 246.307 0.652 20 0 BCADRM CCC[C@@](C)(O)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000826727697 587360281 /nfs/dbraw/zinc/36/02/81/587360281.db2.gz GRCIHENCRFVBPD-LLVKDONJSA-N -1 0 246.307 0.700 20 0 BCADRM CC(C)[C@@H](OC(=O)CCc1nnc[nH]1)C(=O)[O-] ZINC000826723495 587360285 /nfs/dbraw/zinc/36/02/85/587360285.db2.gz UYHUXKZSALSACP-SECBINFHSA-N -1 0 241.247 0.390 20 0 BCADRM CCC[C@](C)(O)C(=O)NCCCN(C)C(=O)[O-] ZINC000826729769 587360298 /nfs/dbraw/zinc/36/02/98/587360298.db2.gz UTIJFRAMRKGODJ-NSHDSACASA-N -1 0 246.307 0.654 20 0 BCADRM CC(C)[C@@H](OC(=O)C[C@H]1COC(=O)C1)C(=O)[O-] ZINC000826723561 587360329 /nfs/dbraw/zinc/36/03/29/587360329.db2.gz VKKUHQCCUINFQB-OIBJUYFYSA-N -1 0 244.243 0.592 20 0 BCADRM CCC[C@](C)(O)C(=O)NCCN(C)C(=O)[O-] ZINC000826727209 587360336 /nfs/dbraw/zinc/36/03/36/587360336.db2.gz CWQRJEALMVZZFD-JTQLQIEISA-N -1 0 232.280 0.264 20 0 BCADRM CCC[C@](C)(NCCNC(=O)[O-])C(=O)OC ZINC000826730182 587360349 /nfs/dbraw/zinc/36/03/49/587360349.db2.gz XSNVOGDJBUWAEE-JTQLQIEISA-N -1 0 232.280 0.575 20 0 BCADRM CCC[C@@H](CCO)CNC(=O)[C@H](C)NC(=O)[O-] ZINC000826733905 587360400 /nfs/dbraw/zinc/36/04/00/587360400.db2.gz DLXYSIWXGPFIBR-IUCAKERBSA-N -1 0 246.307 0.557 20 0 BCADRM CCC[C@@](C)(O)C(=O)N(C)CCCNC(=O)[O-] ZINC000826730514 587360484 /nfs/dbraw/zinc/36/04/84/587360484.db2.gz ZELPNXYVCGRVII-LLVKDONJSA-N -1 0 246.307 0.654 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N(C)C[C@@H](C)O ZINC000826745861 587360970 /nfs/dbraw/zinc/36/09/70/587360970.db2.gz ZWGQQFMJASWCES-HTQZYQBOSA-N -1 0 232.280 0.262 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NCC(C)(C)O ZINC000826750114 587361251 /nfs/dbraw/zinc/36/12/51/587361251.db2.gz GSINOWLLKYQLDB-SSDOTTSWSA-N -1 0 232.280 0.310 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N[C@H](C)CCCO ZINC000826751027 587361253 /nfs/dbraw/zinc/36/12/53/587361253.db2.gz LQTZYGWWCPZFCA-RKDXNWHRSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@@H](O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000826766011 587361486 /nfs/dbraw/zinc/36/14/86/587361486.db2.gz XPLZJEWUPVWARV-BDAKNGLRSA-N -1 0 246.307 0.556 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)OCCC(=O)NC ZINC000826765171 587361492 /nfs/dbraw/zinc/36/14/92/587361492.db2.gz NYMBEOBQXWUCNB-ZETCQYMHSA-N -1 0 246.263 0.102 20 0 BCADRM CCC[C@@H]1C[C@@H]1NC(=O)CNC(=O)[O-] ZINC000826774923 587362041 /nfs/dbraw/zinc/36/20/41/587362041.db2.gz LNPGNFTVCHCCTD-RQJHMYQMSA-N -1 0 200.238 0.559 20 0 BCADRM CCCC[C@H](CNC(=O)[O-])NC(=O)[C@H](C)OC ZINC000826781991 587362117 /nfs/dbraw/zinc/36/21/17/587362117.db2.gz TWLKZVZOCDYOIA-DTWKUNHWSA-N -1 0 246.307 0.964 20 0 BCADRM CC(C)C[C@@H](OC(=O)[C@@H]1CNC(=O)C1)C(=O)[O-] ZINC000826813025 587362932 /nfs/dbraw/zinc/36/29/32/587362932.db2.gz MUPGCZZNJIFVLE-JGVFFNPUSA-N -1 0 243.259 0.165 20 0 BCADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@H](C)C(N)=O 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0.439 20 0 BCADRM CC(C)(C)CCCC(=O)N[C@H](CO)C(=O)[O-] ZINC000833429663 587714731 /nfs/dbraw/zinc/71/47/31/587714731.db2.gz TXNYMQXAGXUMQT-MRVPVSSYSA-N -1 0 231.292 0.765 20 0 BCADRM CC(C)(C)OC(=O)CN[C@]1(C(=O)[O-])CCOC1 ZINC000833434744 587715094 /nfs/dbraw/zinc/71/50/94/587715094.db2.gz NNVWQBZIURGCRF-LLVKDONJSA-N -1 0 245.275 0.161 20 0 BCADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H](CO)C1CC1 ZINC000833452674 587715340 /nfs/dbraw/zinc/71/53/40/587715340.db2.gz PEINVTCLHMCLPU-SECBINFHSA-N -1 0 243.303 0.765 20 0 BCADRM CC(C)(NS(=O)(=O)c1ccccn1)C(=O)[O-] ZINC000833460674 587715901 /nfs/dbraw/zinc/71/59/01/587715901.db2.gz LUCGBCAKQXOPPJ-UHFFFAOYSA-N -1 0 244.272 0.223 20 0 BCADRM CC(C)(F)C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000833459992 587715944 /nfs/dbraw/zinc/71/59/44/587715944.db2.gz PHTBPQMIWLTIJP-UHFFFAOYSA-N -1 0 232.255 0.993 20 0 BCADRM CC(C)(NC(=O)[O-])C(=O)N[C@H]1CCCC[C@H]1O ZINC000833461347 587716050 /nfs/dbraw/zinc/71/60/50/587716050.db2.gz NXASYQAAPSESIW-JGVFFNPUSA-N -1 0 244.291 0.452 20 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243.307 0.796 20 0 BCADRM CC(C)(O)[C@@H]1CCCN1C(=O)CCNC(=O)[O-] ZINC000833464169 587716406 /nfs/dbraw/zinc/71/64/06/587716406.db2.gz RORQRFXSCHLIDA-QMMMGPOBSA-N -1 0 244.291 0.406 20 0 BCADRM CC(C)(O)[C@H]1CCCN1C(=O)CCNC(=O)[O-] ZINC000833464168 587716412 /nfs/dbraw/zinc/71/64/12/587716412.db2.gz RORQRFXSCHLIDA-MRVPVSSYSA-N -1 0 244.291 0.406 20 0 BCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCOC1 ZINC000833468091 587716422 /nfs/dbraw/zinc/71/64/22/587716422.db2.gz MNTGJMOAPPBDHY-JGVFFNPUSA-N -1 0 230.264 0.184 20 0 BCADRM CC(C)COC(=O)[C@H](C)NC(=O)CCC(=O)[O-] ZINC000833488696 587716966 /nfs/dbraw/zinc/71/69/66/587716966.db2.gz DQHZMUACVMUEBF-QMMMGPOBSA-N -1 0 245.275 0.555 20 0 BCADRM CC(C)CONC(=O)CCCNC(=O)[O-] ZINC000833487459 587717263 /nfs/dbraw/zinc/71/72/63/587717263.db2.gz FBQUMCNJKLWNPJ-UHFFFAOYSA-N -1 0 218.253 0.738 20 0 BCADRM CC(C)COC(=O)Cn1cnc(C(=O)[O-])n1 ZINC000833490280 587717854 /nfs/dbraw/zinc/71/78/54/587717854.db2.gz SFWCSPRLALCYNB-UHFFFAOYSA-N -1 0 227.220 0.176 20 0 BCADRM CC(C)[C@@H](CO)NC(=O)c1cc(C(=O)[O-])no1 ZINC000833508632 587718222 /nfs/dbraw/zinc/71/82/22/587718222.db2.gz ZZHRBCMLXVXVOO-SSDOTTSWSA-N -1 0 242.231 0.120 20 0 BCADRM C[C@@H](CO)[C@@H](C)NC(=O)C(C)(C)NC(=O)[O-] ZINC000833518067 587718340 /nfs/dbraw/zinc/71/83/40/587718340.db2.gz GSSRVTJGAJFOGX-NKWVEPMBSA-N -1 0 232.280 0.166 20 0 BCADRM C[C@H](CO)CCCNC(=O)CCNC(=O)[O-] ZINC000833518168 587718457 /nfs/dbraw/zinc/71/84/57/587718457.db2.gz HCYXDEKRKHOXRC-QMMMGPOBSA-N -1 0 232.280 0.169 20 0 BCADRM C[C@H](C[C@H](C)O)NC(=O)C(C)(C)NC(=O)[O-] ZINC000833528652 587718663 /nfs/dbraw/zinc/71/86/63/587718663.db2.gz SEAGGOPYOPRCKJ-RQJHMYQMSA-N -1 0 232.280 0.308 20 0 BCADRM C[C@@](O)(CC(=O)NC1(C(=O)[O-])CCC1)C1CC1 ZINC000833524970 587718666 /nfs/dbraw/zinc/71/86/66/587718666.db2.gz OHOFLRUOJZTQOH-LLVKDONJSA-N -1 0 241.287 0.661 20 0 BCADRM C[C@@H](O)C[C@@H](C)NC(=O)CCSCC(=O)[O-] ZINC000833526023 587718695 /nfs/dbraw/zinc/71/86/95/587718695.db2.gz AWGRLPFSBGXVOF-HTQZYQBOSA-N -1 0 249.332 0.470 20 0 BCADRM C[C@@](O)(CC(=O)N(CC(=O)[O-])C1CC1)C1CC1 ZINC000833525047 587718864 /nfs/dbraw/zinc/71/88/64/587718864.db2.gz MJEKFTISNRMJCZ-GFCCVEGCSA-N -1 0 241.287 0.613 20 0 BCADRM CC1(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)COC1 ZINC000833553315 587719598 /nfs/dbraw/zinc/71/95/98/587719598.db2.gz SPQCQICAOMUVJB-QMMMGPOBSA-N -1 0 242.275 0.282 20 0 BCADRM CC1(C(=O)N2CCC[C@@H](C(=O)[O-])C2)COC1 ZINC000833552969 587719701 /nfs/dbraw/zinc/71/97/01/587719701.db2.gz LHRDHFIHHBBATC-MRVPVSSYSA-N -1 0 227.260 0.346 20 0 BCADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CCCCO)C1 ZINC000833554214 587719734 /nfs/dbraw/zinc/71/97/34/587719734.db2.gz SLXZMZZZEDIGDF-LLVKDONJSA-N -1 0 229.276 0.472 20 0 BCADRM C[C@@]1(C(=O)NC2CN(C(=O)[O-])C2)CCCOC1 ZINC000833553571 587719797 /nfs/dbraw/zinc/71/97/97/587719797.db2.gz UUURGPCOKZDSEM-LLVKDONJSA-N -1 0 242.275 0.282 20 0 BCADRM C[C@]1(C(=O)NC2CN(C(=O)[O-])C2)CCCOC1 ZINC000833553572 587719807 /nfs/dbraw/zinc/71/98/07/587719807.db2.gz UUURGPCOKZDSEM-NSHDSACASA-N -1 0 242.275 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CC(C)C[C@@H](CNc1cc(C#N)cnn1)C(=O)[O-] ZINC000396342237 711219245 /nfs/dbraw/zinc/21/92/45/711219245.db2.gz NITLRKPVWCXQQS-JTQLQIEISA-N -1 0 248.286 0.929 20 0 BCADRM Cc1ccc(C(=O)N[C@H](C)CCC(=O)[O-])nn1 ZINC000396421549 711219684 /nfs/dbraw/zinc/21/96/84/711219684.db2.gz HJWOQHUQXSQRLD-SSDOTTSWSA-N -1 0 237.259 0.768 20 0 BCADRM N#Cc1ccc(N(CC(=O)[O-])CC2CC2)nn1 ZINC000396349405 711219733 /nfs/dbraw/zinc/21/97/33/711219733.db2.gz VKAXCQHPQQYSOU-UHFFFAOYSA-N -1 0 232.243 0.649 20 0 BCADRM CC[C@H](NC(=O)N[C@H]1COC(C)(C)C1)C(=O)[O-] ZINC000396464196 711220946 /nfs/dbraw/zinc/22/09/46/711220946.db2.gz FLEQZQCIPIWPKE-SFYZADRCSA-N -1 0 244.291 0.716 20 0 BCADRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])C2CC2)nn1 ZINC000396431605 711221514 /nfs/dbraw/zinc/22/15/14/711221514.db2.gz UEZLRCWUGQVVPA-VIFPVBQESA-N -1 0 235.243 0.378 20 0 BCADRM CC(C)[C@@H](CNc1cc(C#N)cnn1)C(=O)[O-] ZINC000396576713 711356547 /nfs/dbraw/zinc/35/65/47/711356547.db2.gz QTWOXCAQMWFTGT-SECBINFHSA-N -1 0 234.259 0.539 20 0 BCADRM N#Cc1ccc(N2CCC[C@H]2C(=O)[O-])nn1 ZINC000396603948 711359375 /nfs/dbraw/zinc/35/93/75/711359375.db2.gz FCUQDRFOUTTWHY-QMMMGPOBSA-N -1 0 218.216 0.402 20 0 BCADRM CC(C)[C@@H](CCO)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397102352 711377094 /nfs/dbraw/zinc/37/70/94/711377094.db2.gz OXYNPUWQFBVAFL-KXUCPTDWSA-N -1 0 243.303 0.620 20 0 BCADRM CC[C@@](C)(O)CNC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397098473 711375956 /nfs/dbraw/zinc/37/59/56/711375956.db2.gz OCKLZMJZSMCUEP-VHSKPIJISA-N -1 0 229.276 0.374 20 0 BCADRM C[C@H]1OCC[C@@H]1C(=O)NC1(CC(=O)[O-])CC1 ZINC000398304728 711406175 /nfs/dbraw/zinc/40/61/75/711406175.db2.gz OOPAAQKOTJDXAZ-SFYZADRCSA-N -1 0 227.260 0.535 20 0 BCADRM O=C([O-])c1cc(NCCCOC(F)F)ncn1 ZINC000398269783 711406238 /nfs/dbraw/zinc/40/62/38/711406238.db2.gz PEIYQXSODNMNOO-UHFFFAOYSA-N -1 0 247.201 0.638 20 0 BCADRM O=C([O-])CC1(NC(=O)c2cnc[nH]2)CC1 ZINC000398302611 711406745 /nfs/dbraw/zinc/40/67/45/711406745.db2.gz NOXWCEZMVBEKRB-UHFFFAOYSA-N -1 0 209.205 0.147 20 0 BCADRM O=C([O-])CC1(NC(=O)c2ccn[nH]2)CC1 ZINC000398316758 711407975 /nfs/dbraw/zinc/40/79/75/711407975.db2.gz UFKVUESPDNXHHT-UHFFFAOYSA-N -1 0 209.205 0.147 20 0 BCADRM Cc1c(F)cccc1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000398718801 711414357 /nfs/dbraw/zinc/41/43/57/711414357.db2.gz YAWFQJJRBAHSEY-VIFPVBQESA-N -1 0 241.218 0.309 20 0 BCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc(C#N)nn2)C1 ZINC000398843298 711415922 /nfs/dbraw/zinc/41/59/22/711415922.db2.gz KSEUCSWIZZBZIS-DTWKUNHWSA-N -1 0 246.270 0.895 20 0 BCADRM C[C@@H]1COCCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC000399140379 711422026 /nfs/dbraw/zinc/42/20/26/711422026.db2.gz UGQSHLZITZWWFG-IVZWLZJFSA-N -1 0 241.287 0.592 20 0 BCADRM Cc1cc(C(=O)N2CC(C)(C(=O)[O-])C2)n(C)n1 ZINC000399165106 711422926 /nfs/dbraw/zinc/42/29/26/711422926.db2.gz MEILDBFUHOYBEP-UHFFFAOYSA-N -1 0 237.259 0.275 20 0 BCADRM CCCOCC(=O)N1CC(C)(C(=O)[O-])C1 ZINC000399156306 711423146 /nfs/dbraw/zinc/42/31/46/711423146.db2.gz BOWHLLTWXHJPGE-UHFFFAOYSA-N -1 0 215.249 0.346 20 0 BCADRM CC1(C(=O)[O-])CN(C(=O)CCc2ccccn2)C1 ZINC000399409687 711429557 /nfs/dbraw/zinc/42/95/57/711429557.db2.gz JWEWVUBODZIGMU-UHFFFAOYSA-N -1 0 248.282 0.947 20 0 BCADRM Cc1cc(C)nc(C(=O)NCCC(=O)[O-])c1 ZINC000380853218 710592459 /nfs/dbraw/zinc/59/24/59/710592459.db2.gz AMYXSKHYSLCQMT-UHFFFAOYSA-N -1 0 222.244 0.903 20 0 BCADRM Cc1nc2c(cnn2C)c(SCC(=O)[O-])n1 ZINC000380976297 710595104 /nfs/dbraw/zinc/59/51/04/710595104.db2.gz ABLMWMOVZVYTHM-UHFFFAOYSA-N -1 0 238.272 0.848 20 0 BCADRM COC1CN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000384070540 710596296 /nfs/dbraw/zinc/59/62/96/710596296.db2.gz ZRMVQEFHSNPMDD-UWVGGRQHSA-N -1 0 239.271 0.511 20 0 BCADRM C/C(=C/C(=O)NC[C@@](C)(O)C(=O)[O-])C1CC1 ZINC000381047772 710600350 /nfs/dbraw/zinc/60/03/50/710600350.db2.gz FZCNHGGVYBUYCM-JPVGGKMYSA-N -1 0 227.260 0.295 20 0 BCADRM C[C@@H](CCO)CN=c1ccc(OC(F)F)n[n-]1 ZINC000384105904 710609239 /nfs/dbraw/zinc/60/92/39/710609239.db2.gz XGTCXRNSQSIPFY-ZETCQYMHSA-N -1 0 247.245 0.930 20 0 BCADRM COC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000113366260 710613864 /nfs/dbraw/zinc/61/38/64/710613864.db2.gz DVBIBKKACDOVLZ-RQJHMYQMSA-N -1 0 233.264 0.999 20 0 BCADRM C[C@@H](CC(=O)[O-])NC(=O)COC1(C)CCC1 ZINC000381270502 710614525 /nfs/dbraw/zinc/61/45/25/710614525.db2.gz VJOGESJBVYMGNO-QMMMGPOBSA-N -1 0 229.276 0.925 20 0 BCADRM Cn1[n-]nnc1=NCCNc1ccccc1 ZINC000381795908 710719124 /nfs/dbraw/zinc/71/91/24/710719124.db2.gz BNQCSXMEQIOIQF-UHFFFAOYSA-N -1 0 218.264 0.156 20 0 BCADRM C[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C(C)(C)O ZINC000397028346 710909871 /nfs/dbraw/zinc/90/98/71/710909871.db2.gz KPAHRVOMPRJSEZ-RNJXMRFFSA-N -1 0 229.276 0.373 20 0 BCADRM CC(C)(C)[C@@H](NC(=O)Cn1ccnc1)C(=O)[O-] ZINC000383609285 710984980 /nfs/dbraw/zinc/98/49/80/710984980.db2.gz SGSHHHLTGCYFTB-VIFPVBQESA-N -1 0 239.275 0.499 20 0 BCADRM CC/C=C\CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000384931664 711000549 /nfs/dbraw/zinc/00/05/49/711000549.db2.gz CZYGPLLMOLEJKI-UREXNXCXSA-N -1 0 242.275 0.182 20 0 BCADRM CC/C=C\CNC(=O)N[C@@H](C)C(=O)[O-] ZINC000385006432 711002609 /nfs/dbraw/zinc/00/26/09/711002609.db2.gz MSWSBTCMOPZQLV-MJSGSUOKSA-N -1 0 200.238 0.725 20 0 BCADRM CCC[C@H](C)C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386477897 711029891 /nfs/dbraw/zinc/02/98/91/711029891.db2.gz PYQXSEIQIVFTTH-GZMMTYOYSA-N -1 0 229.276 0.471 20 0 BCADRM O=C([O-])[C@@]1(O)CCN(C(=O)C2CCCCC2)C1 ZINC000386456949 711030060 /nfs/dbraw/zinc/03/00/60/711030060.db2.gz MVCIPXHCNOFPPL-GFCCVEGCSA-N -1 0 241.287 0.615 20 0 BCADRM CCCCC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386462916 711030192 /nfs/dbraw/zinc/03/01/92/711030192.db2.gz NOLKRVSDKPJYKL-SNVBAGLBSA-N -1 0 215.249 0.225 20 0 BCADRM Cc1occc1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386488388 711030859 /nfs/dbraw/zinc/03/08/59/711030859.db2.gz RTIRAFDMAYFIEP-LLVKDONJSA-N -1 0 239.227 0.250 20 0 BCADRM CC[C@H](C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386481089 711031270 /nfs/dbraw/zinc/03/12/70/711031270.db2.gz QLGACOHKGRUZLJ-XVKPBYJWSA-N -1 0 215.249 0.081 20 0 BCADRM Cc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)nn1 ZINC000396529352 711222157 /nfs/dbraw/zinc/22/21/57/711222157.db2.gz SDRACRLISRQCJT-UHFFFAOYSA-N -1 0 249.270 0.912 20 0 BCADRM C[C@@H](CNC(=O)c1ccncn1)CC(=O)[O-] ZINC000396484067 711222191 /nfs/dbraw/zinc/22/21/91/711222191.db2.gz IFOPITRZRFWFKA-SSDOTTSWSA-N -1 0 223.232 0.317 20 0 BCADRM O=C([O-])CCCCCNC(=O)c1ccncn1 ZINC000396481650 711222409 /nfs/dbraw/zinc/22/24/09/711222409.db2.gz YQTOMNXSQXLXJW-UHFFFAOYSA-N -1 0 237.259 0.851 20 0 BCADRM CCC[C@@H](O)CNC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397024128 711374261 /nfs/dbraw/zinc/37/42/61/711374261.db2.gz IODHSBULUSTAMR-HLTSFMKQSA-N -1 0 229.276 0.374 20 0 BCADRM C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCOC1 ZINC000397116350 711375990 /nfs/dbraw/zinc/37/59/90/711375990.db2.gz IDPVAKXFYHRSOA-FYBVGQRMSA-N -1 0 227.260 0.250 20 0 BCADRM CCCN(CCO)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397099175 711376082 /nfs/dbraw/zinc/37/60/82/711376082.db2.gz OHUOXVMMNSHJTB-BDAKNGLRSA-N -1 0 229.276 0.328 20 0 BCADRM CN(CCCCO)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397117816 711376205 /nfs/dbraw/zinc/37/62/05/711376205.db2.gz YFSUZKNJECOQBN-BDAKNGLRSA-N -1 0 229.276 0.328 20 0 BCADRM C[C@H](C[C@H](C)O)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397100131 711376250 /nfs/dbraw/zinc/37/62/50/711376250.db2.gz OVPONMJMKGQWKS-XAVMHZPKSA-N -1 0 229.276 0.373 20 0 BCADRM O=C([O-])[C@H]1CC[C@H]1C(=O)N1CCC[C@H](O)C1 ZINC000397096931 711376579 /nfs/dbraw/zinc/37/65/79/711376579.db2.gz BLVJASVYRFRSKS-YIZRAAEISA-N -1 0 227.260 0.081 20 0 BCADRM CC[C@@H](CCO)CNC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397072526 711376742 /nfs/dbraw/zinc/37/67/42/711376742.db2.gz MVARTKZBHQAHMJ-AEJSXWLSSA-N -1 0 243.303 0.622 20 0 BCADRM CC[C@@](C)(CCO)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397094090 711376891 /nfs/dbraw/zinc/37/68/91/711376891.db2.gz YOZVPUMMCRNONR-PTRXPTGYSA-N -1 0 243.303 0.765 20 0 BCADRM CC(C)[C@H](CCO)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397102355 711377012 /nfs/dbraw/zinc/37/70/12/711377012.db2.gz OXYNPUWQFBVAFL-UTLUCORTSA-N -1 0 243.303 0.620 20 0 BCADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC(F)F ZINC000397157044 711378199 /nfs/dbraw/zinc/37/81/99/711378199.db2.gz RIAGAPVHZFVSOT-CRCLSJGQSA-N -1 0 207.176 0.479 20 0 BCADRM C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1cn[nH]c1 ZINC000397196961 711378871 /nfs/dbraw/zinc/37/88/71/711378871.db2.gz NUSWFCAMIRSTLJ-NBEYISGCSA-N -1 0 237.259 0.698 20 0 BCADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCCc1ccncc1 ZINC000397449882 711382795 /nfs/dbraw/zinc/38/27/95/711382795.db2.gz ZWNBIPZCOJVIJZ-GHMZBOCLSA-N -1 0 248.282 0.851 20 0 BCADRM Cc1cc(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])no1 ZINC000397469900 711383674 /nfs/dbraw/zinc/38/36/74/711383674.db2.gz VJGYRHPRUIYSAC-RKDXNWHRSA-N -1 0 238.243 0.710 20 0 BCADRM CCN(CC(=O)[O-])C(=O)N[C@@H]1CSC[C@H]1C ZINC000397810735 711393194 /nfs/dbraw/zinc/39/31/94/711393194.db2.gz GLZXMJZKNOEYOV-HTQZYQBOSA-N -1 0 246.332 0.854 20 0 BCADRM CCCS(=O)(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722649739 711463218 /nfs/dbraw/zinc/46/32/18/711463218.db2.gz RPQQENAFDYVMHB-RKDXNWHRSA-N -1 0 249.332 0.769 20 0 BCADRM Cc1nc(N(C)CCO)ccc1C(=O)[O-] ZINC000133892728 711474892 /nfs/dbraw/zinc/47/48/92/711474892.db2.gz BIQLJVAGPXPDBH-UHFFFAOYSA-N -1 0 210.233 0.517 20 0 BCADRM C[C@@H](C(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC000715254882 711478437 /nfs/dbraw/zinc/47/84/37/711478437.db2.gz MTDLVLUTMBJLLS-YEPSODPASA-N -1 0 211.261 0.869 20 0 BCADRM CCO[N-]C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000070275728 711479284 /nfs/dbraw/zinc/47/92/84/711479284.db2.gz YISWAWNSDXPSRZ-SSDOTTSWSA-N -1 0 216.281 0.605 20 0 BCADRM Cc1nc(CC(=O)NC(C)(C)C(=O)[O-])cs1 ZINC000040910109 711483292 /nfs/dbraw/zinc/48/32/92/711483292.db2.gz NKJOOEJFJBYSTR-UHFFFAOYSA-N -1 0 242.300 0.973 20 0 BCADRM COCCONC(=O)C[C@@H](C)CC(=O)[O-] ZINC000134228310 711492244 /nfs/dbraw/zinc/49/22/44/711492244.db2.gz KJDFDVDZJACAPK-SSDOTTSWSA-N -1 0 219.237 0.182 20 0 BCADRM COCCONC(=O)CC(C)(C)CC(=O)[O-] ZINC000134228265 711492333 /nfs/dbraw/zinc/49/23/33/711492333.db2.gz MYERSIKPJMGWKW-UHFFFAOYSA-N -1 0 233.264 0.572 20 0 BCADRM Cc1nc(N2CCC[C@@H](O)C2)ncc1C(=O)[O-] ZINC000134345728 711500098 /nfs/dbraw/zinc/50/00/98/711500098.db2.gz SBFUJGGWQLVLOE-MRVPVSSYSA-N -1 0 237.259 0.444 20 0 BCADRM Cc1nc(N[C@H](C)CCO)ncc1C(=O)[O-] ZINC000134374556 711501011 /nfs/dbraw/zinc/50/10/11/711501011.db2.gz HRVYWUYNGCDQHL-ZCFIWIBFSA-N -1 0 225.248 0.666 20 0 BCADRM CC1(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)CCCC1 ZINC000386436077 711550231 /nfs/dbraw/zinc/55/02/31/711550231.db2.gz JNOQDPGKESBZFW-LBPRGKRZSA-N -1 0 241.287 0.615 20 0 BCADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cccs2)C1 ZINC000386463680 711558072 /nfs/dbraw/zinc/55/80/72/711558072.db2.gz NRWGOFFRENXXRK-JTQLQIEISA-N -1 0 241.268 0.410 20 0 BCADRM C[C@@H](O)CC(C)(C)CNC(=O)COCC(=O)[O-] ZINC000393549572 711565420 /nfs/dbraw/zinc/56/54/20/711565420.db2.gz UYDODBYKBQDVJU-MRVPVSSYSA-N -1 0 247.291 0.001 20 0 BCADRM CO[C@@H]1CC[C@H]1N(C)c1ncc(C(=O)[O-])cn1 ZINC000724184227 711566989 /nfs/dbraw/zinc/56/69/89/711566989.db2.gz QWGITXCPRCFFQT-RKDXNWHRSA-N -1 0 237.259 0.788 20 0 BCADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)CCCC(=O)[O-] ZINC000724176655 711567179 /nfs/dbraw/zinc/56/71/79/711567179.db2.gz QRKRROYTPCVELQ-DTWKUNHWSA-N -1 0 229.276 0.877 20 0 BCADRM CO[C@@H]1CC[C@H]1N(C)C(=O)C1(C(=O)[O-])CCC1 ZINC000724185091 711567512 /nfs/dbraw/zinc/56/75/12/711567512.db2.gz BFMWFRHGHCEJQI-RKDXNWHRSA-N -1 0 241.287 0.877 20 0 BCADRM CO[C@H]1CC[C@H]1N(C)C(=O)C1(C(=O)[O-])CCC1 ZINC000724185087 711567523 /nfs/dbraw/zinc/56/75/23/711567523.db2.gz BFMWFRHGHCEJQI-BDAKNGLRSA-N -1 0 241.287 0.877 20 0 BCADRM C[C@@H](O)CN(C)C(=O)CCCC(=O)[O-] ZINC000051820060 711595103 /nfs/dbraw/zinc/59/51/03/711595103.db2.gz IJWWQHRNDKPUML-SSDOTTSWSA-N -1 0 203.238 0.081 20 0 BCADRM C[C@@H](NC(=O)[C@H]1CCCOCC1)C(=O)[O-] ZINC000725662451 711669032 /nfs/dbraw/zinc/66/90/32/711669032.db2.gz KMLVIEBMBBKNKN-SFYZADRCSA-N -1 0 215.249 0.392 20 0 BCADRM C[C@H](CCO)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000132367363 711635304 /nfs/dbraw/zinc/63/53/04/711635304.db2.gz LOODZNWNZRABBR-BBBLOLIVSA-N -1 0 243.303 0.765 20 0 BCADRM Cc1nc(N2CCC[C@H](O)C2)ncc1C(=O)[O-] ZINC000134345701 711643049 /nfs/dbraw/zinc/64/30/49/711643049.db2.gz SBFUJGGWQLVLOE-QMMMGPOBSA-N -1 0 237.259 0.444 20 0 BCADRM Cn1nc(NS(=O)(=O)C2CC2)cc1C(=O)[O-] ZINC000725224331 711660431 /nfs/dbraw/zinc/66/04/31/711660431.db2.gz JMJRREJOPRWYKL-UHFFFAOYSA-N -1 0 245.260 0.022 20 0 BCADRM CCCN(CC(=O)[O-])C(=O)c1ccc(C)nn1 ZINC000396418362 711701305 /nfs/dbraw/zinc/70/13/05/711701305.db2.gz CSSQWFWOQIYPPM-UHFFFAOYSA-N -1 0 237.259 0.722 20 0 BCADRM Cn1cc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cn1 ZINC000397352870 711705410 /nfs/dbraw/zinc/70/54/10/711705410.db2.gz LBFVGTWZSUMZOH-HTQZYQBOSA-N -1 0 223.232 0.469 20 0 BCADRM COC[C@@H](C)CC(=O)NC1(CC(=O)[O-])CC1 ZINC000398266661 711709816 /nfs/dbraw/zinc/70/98/16/711709816.db2.gz FAIUAOMJEOERMA-QMMMGPOBSA-N -1 0 229.276 0.783 20 0 BCADRM O=C([O-])CC1(NC(=O)[C@@H]2CCSC2)CC1 ZINC000398285807 711709836 /nfs/dbraw/zinc/70/98/36/711709836.db2.gz NFHYWDSEVLXBMQ-SSDOTTSWSA-N -1 0 229.301 0.863 20 0 BCADRM CCN(CC(C)(C)O)C(=O)C1(C(=O)[O-])CCC1 ZINC000092985371 711712858 /nfs/dbraw/zinc/71/28/58/711712858.db2.gz NEBHFVYEWUHRIL-UHFFFAOYSA-N -1 0 243.303 0.861 20 0 BCADRM COC(=O)[C@@H]1CCN(c2cc(=O)[nH]cn2)[C@H]1C ZINC000893420002 711721572 /nfs/dbraw/zinc/72/15/72/711721572.db2.gz INSXZERAFIIONC-JGVFFNPUSA-N -1 0 237.259 0.570 20 0 BCADRM CCC[C@H](NC(=O)c1ccc(C)nn1)C(=O)[O-] ZINC000257642714 711722148 /nfs/dbraw/zinc/72/21/48/711722148.db2.gz BGQWELAULKBMHK-VIFPVBQESA-N -1 0 237.259 0.768 20 0 BCADRM CC(C)[C@H](O)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000909351017 711724626 /nfs/dbraw/zinc/72/46/26/711724626.db2.gz HJYRWNJYKIRQBO-OIBJUYFYSA-N -1 0 247.316 0.080 20 0 BCADRM CCO[C@H](C)C(=O)NC(C)(C)C(=O)[O-] ZINC000236909313 711763185 /nfs/dbraw/zinc/76/31/85/711763185.db2.gz UZOFKZJKRWYDPC-ZCFIWIBFSA-N -1 0 203.238 0.391 20 0 BCADRM Cc1coc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000257680411 711726404 /nfs/dbraw/zinc/72/64/04/711726404.db2.gz JHHNDPQUVHPQFA-QMMMGPOBSA-N -1 0 239.227 0.514 20 0 BCADRM CC[C@H]1[C@H](CO)CCN1c1nc(C(=O)[O-])co1 ZINC000385727272 711756840 /nfs/dbraw/zinc/75/68/40/711756840.db2.gz SYSWVJCDMCHGAU-CBAPKCEASA-N -1 0 240.259 0.970 20 0 BCADRM C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1CC(=O)[O-] ZINC000722450053 711757819 /nfs/dbraw/zinc/75/78/19/711757819.db2.gz VHLZPQCRJVWLDV-KXUCPTDWSA-N -1 0 241.287 0.592 20 0 BCADRM CC(C)OCC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722448828 711757879 /nfs/dbraw/zinc/75/78/79/711757879.db2.gz IOSOCNSASRCNLE-NXEZZACHSA-N -1 0 243.303 0.981 20 0 BCADRM C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1CC(=O)[O-] ZINC000722466176 711758739 /nfs/dbraw/zinc/75/87/39/711758739.db2.gz LKAUKHKNCBYCDL-PSASIEDQSA-N -1 0 249.270 0.659 20 0 BCADRM CC(C)CN(CC(=O)[O-])C(=O)c1cncn1C ZINC000232581559 711760801 /nfs/dbraw/zinc/76/08/01/711760801.db2.gz TVTSMHCKQOEWOL-UHFFFAOYSA-N -1 0 239.275 0.603 20 0 BCADRM Cc1ccncc1CNC(=O)N[C@H](C)C(=O)[O-] ZINC000163115528 711763308 /nfs/dbraw/zinc/76/33/08/711763308.db2.gz VTPJJBQIFRQPBO-MRVPVSSYSA-N -1 0 237.259 0.662 20 0 BCADRM CCO[C@@H](C)C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000237026350 711764220 /nfs/dbraw/zinc/76/42/20/711764220.db2.gz VMRXFWRLHXPGAI-YUMQZZPRSA-N -1 0 217.265 0.781 20 0 BCADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1ccon1 ZINC000237040154 711765995 /nfs/dbraw/zinc/76/59/95/711765995.db2.gz KZZFZFZAJXPSQQ-MRVPVSSYSA-N -1 0 240.259 0.929 20 0 BCADRM C[C@]1(C(=O)N[C@H](CC(=O)[O-])C2CC2)CCCO1 ZINC000137182281 711766117 /nfs/dbraw/zinc/76/61/17/711766117.db2.gz RIEGLMQYTKUEBD-BXKDBHETSA-N -1 0 241.287 0.925 20 0 BCADRM CO[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)C(C)C ZINC000909421376 711774697 /nfs/dbraw/zinc/77/46/97/711774697.db2.gz LFHTURANHOMREK-DTWKUNHWSA-N -1 0 229.276 0.591 20 0 BCADRM C[C@@H](C(=O)[O-])C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000165608016 711775776 /nfs/dbraw/zinc/77/57/76/711775776.db2.gz MAKWKADJBGOHFY-PRJMDXOYSA-N -1 0 213.233 0.097 20 0 BCADRM C[C@@H](O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000909437255 711776025 /nfs/dbraw/zinc/77/60/25/711776025.db2.gz ZGRQJLFRAHRNDG-MRVPVSSYSA-N -1 0 229.276 0.471 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)NC(C)(C)CCO ZINC000909493721 711778674 /nfs/dbraw/zinc/77/86/74/711778674.db2.gz UYZDPVWIIWPMAX-ZETCQYMHSA-N -1 0 217.265 0.374 20 0 BCADRM C[C@@H](O)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000909494073 711778773 /nfs/dbraw/zinc/77/87/73/711778773.db2.gz JOONBFJPHXOTGU-SFYZADRCSA-N -1 0 215.249 0.223 20 0 BCADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ncc[nH]1 ZINC000909494129 711778981 /nfs/dbraw/zinc/77/89/81/711778981.db2.gz LOUKWUQOESFVMX-MRVPVSSYSA-N -1 0 237.259 0.879 20 0 BCADRM Cc1nc(NCCOCCO)sc1C(=O)[O-] ZINC000213508371 711780194 /nfs/dbraw/zinc/78/01/94/711780194.db2.gz ACAINRMUBQRVRE-UHFFFAOYSA-N -1 0 246.288 0.571 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)NC1(C)CCOCC1 ZINC000909548489 711782978 /nfs/dbraw/zinc/78/29/78/711782978.db2.gz BLUBLQHBDZFRKN-MRVPVSSYSA-N -1 0 229.276 0.783 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N1CCO[C@H](C(C)C)C1 ZINC000909553459 711783087 /nfs/dbraw/zinc/78/30/87/711783087.db2.gz PATBGCLRPOTZPC-UWVGGRQHSA-N -1 0 243.303 0.981 20 0 BCADRM CC/C(C)=C\C(=O)N[C@@H](CCOC)C(=O)[O-] ZINC000909625900 711786569 /nfs/dbraw/zinc/78/65/69/711786569.db2.gz NJHPIOBWTMBGBF-FUOZMLNRSA-N -1 0 229.276 0.949 20 0 BCADRM CCc1n[nH]cc1C(=O)NCC1(C(=O)[O-])CC1 ZINC000909642471 711786838 /nfs/dbraw/zinc/78/68/38/711786838.db2.gz SBCKAWFAPMQLJP-UHFFFAOYSA-N -1 0 237.259 0.567 20 0 BCADRM O=C([O-])C1(CNC(=O)C2CCC(O)CC2)CC1 ZINC000909642447 711786880 /nfs/dbraw/zinc/78/68/80/711786880.db2.gz RIJGSCPIICAKTH-UHFFFAOYSA-N -1 0 241.287 0.519 20 0 BCADRM C[C@@]1(C(=O)NCC2(C(=O)[O-])CC2)CCCCO1 ZINC000909645268 711786957 /nfs/dbraw/zinc/78/69/57/711786957.db2.gz JEJUHNRYMSVEMN-NSHDSACASA-N -1 0 241.287 0.927 20 0 BCADRM Cc1ncoc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000159390829 711804112 /nfs/dbraw/zinc/80/41/12/711804112.db2.gz URVULSKPVWSMLB-SFYZADRCSA-N -1 0 238.243 0.918 20 0 BCADRM CCN(CC(=O)[O-])C(=O)NCCC1(O)CCC1 ZINC000909139723 711817413 /nfs/dbraw/zinc/81/74/13/711817413.db2.gz HFWMIGOFMRQHKF-UHFFFAOYSA-N -1 0 244.291 0.408 20 0 BCADRM CC1(C)CC[C@@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1 ZINC000909998376 711817864 /nfs/dbraw/zinc/81/78/64/711817864.db2.gz DPRIYAQKTKBNBC-CIUDSAMLSA-N -1 0 241.287 0.923 20 0 BCADRM CC[C@H](CO)C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000909999114 711817914 /nfs/dbraw/zinc/81/79/14/711817914.db2.gz HJSSNUNUOHZVAF-KBVBSXBZSA-N -1 0 243.303 0.765 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000911439658 711818860 /nfs/dbraw/zinc/81/88/60/711818860.db2.gz JRCWDCHOPTXIEV-YIZRAAEISA-N -1 0 229.276 0.374 20 0 BCADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CCC1CC1 ZINC000911635024 711819223 /nfs/dbraw/zinc/81/92/23/711819223.db2.gz ANMFTSIZBLZYTP-ONGXEEELSA-N -1 0 241.287 0.613 20 0 BCADRM CCCN(C(=O)[C@H](O)C1CCC1)[C@@H](C)C(=O)[O-] ZINC000911715715 711819340 /nfs/dbraw/zinc/81/93/40/711819340.db2.gz YLNRSMYLIUREEV-WCBMZHEXSA-N -1 0 243.303 0.859 20 0 BCADRM CCCN(C(=O)c1cocn1)[C@H](C)C(=O)[O-] ZINC000911716242 711819383 /nfs/dbraw/zinc/81/93/83/711819383.db2.gz HVQQNKKJGDHXLA-SSDOTTSWSA-N -1 0 226.232 1.000 20 0 BCADRM CCCN(C(=O)[C@@H](O)C1CCC1)[C@@H](C)C(=O)[O-] ZINC000911715716 711819394 /nfs/dbraw/zinc/81/93/94/711819394.db2.gz YLNRSMYLIUREEV-WPRPVWTQSA-N -1 0 243.303 0.859 20 0 BCADRM C[S@](=O)CCNC(=O)c1ccc(F)cc1[O-] ZINC000228310069 711834508 /nfs/dbraw/zinc/83/45/08/711834508.db2.gz APJKNZUBFHPATI-INIZCTEOSA-N -1 0 245.275 0.640 20 0 BCADRM CC[C@@H](CCO)CNC(=O)CCCC(=O)[O-] ZINC000087363476 711835019 /nfs/dbraw/zinc/83/50/19/711835019.db2.gz CBVJGBLRVKEHFI-VIFPVBQESA-N -1 0 231.292 0.766 20 0 BCADRM Cc1nc(NCC(=O)N(C)C)sc1C(=O)[O-] ZINC000087656474 711838132 /nfs/dbraw/zinc/83/81/32/711838132.db2.gz SXPTVRNEERFYMF-UHFFFAOYSA-N -1 0 243.288 0.650 20 0 BCADRM C[C@](O)(CNC(=O)[C@H]1CCCCS1)C(=O)[O-] ZINC000087679721 711838468 /nfs/dbraw/zinc/83/84/68/711838468.db2.gz PKATWUIYLAUHCS-XCBNKYQSSA-N -1 0 247.316 0.224 20 0 BCADRM C[C@@H]1CC[C@H](CC(=O)[N-]S(C)(=O)=O)C1 ZINC000151519078 711842571 /nfs/dbraw/zinc/84/25/71/711842571.db2.gz WVVNHSCULXBWBZ-SFYZADRCSA-N -1 0 219.306 0.889 20 0 BCADRM O=C(CCCc1nnn[n-]1)NCCC1CC=CC1 ZINC000831420360 711857193 /nfs/dbraw/zinc/85/71/93/711857193.db2.gz RRNXIJRSLNZNQH-UHFFFAOYSA-N -1 0 249.318 0.995 20 0 BCADRM CO[C@H]1C[C@H](NC(=O)CCCC(=O)[O-])C1 ZINC000706521741 711915815 /nfs/dbraw/zinc/91/58/15/711915815.db2.gz DSZNBHNCMCXDIK-ZKCHVHJHSA-N -1 0 215.249 0.535 20 0 BCADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CC[C@H](C)C1 ZINC000888318321 711916585 /nfs/dbraw/zinc/91/65/85/711916585.db2.gz LBDGOXKIZIAVSP-YUMQZZPRSA-N -1 0 238.295 0.425 20 0 BCADRM CCO[N-]C(=O)CNC(=O)CCC(C)C ZINC000060375542 711930829 /nfs/dbraw/zinc/93/08/29/711930829.db2.gz QQZNNIYGTWUZSN-UHFFFAOYSA-N -1 0 216.281 0.607 20 0 BCADRM C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC000132450033 711959020 /nfs/dbraw/zinc/95/90/20/711959020.db2.gz CRKOZOCOBQSSAH-ZQARSLAVSA-N -1 0 211.261 0.869 20 0 BCADRM CCCCS(=O)(=O)NC/C=C(/C)C(=O)[O-] ZINC000701336986 712021084 /nfs/dbraw/zinc/02/10/84/712021084.db2.gz UKUGITNICUIMLM-YVMONPNESA-N -1 0 235.305 0.737 20 0 BCADRM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@@H]1C(=O)[O-] ZINC000701770365 712028792 /nfs/dbraw/zinc/02/87/92/712028792.db2.gz WOFHJSMQWOTEAK-BDAKNGLRSA-N -1 0 249.270 0.659 20 0 BCADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cccnn2)C1 ZINC000701794517 712029281 /nfs/dbraw/zinc/02/92/81/712029281.db2.gz DAFSLPLZTVDNMC-BDAKNGLRSA-N -1 0 249.270 0.850 20 0 BCADRM CCO[C@H]1CCN(c2ccc(C(=O)[O-])nn2)C1 ZINC000701783920 712029499 /nfs/dbraw/zinc/02/94/99/712029499.db2.gz QKFATFGDRWBCBK-QMMMGPOBSA-N -1 0 237.259 0.790 20 0 BCADRM Cc1nnccc1C(=O)NC[C@H](C)C(=O)[O-] ZINC000701800852 712029547 /nfs/dbraw/zinc/02/95/47/712029547.db2.gz HEEIVVHKEQRHCV-LURJTMIESA-N -1 0 223.232 0.236 20 0 BCADRM O=C([O-])C[C@@H](NC(=O)c1cccnn1)C1CC1 ZINC000701795464 712029604 /nfs/dbraw/zinc/02/96/04/712029604.db2.gz LOFMHISAGBLQSA-SECBINFHSA-N -1 0 235.243 0.460 20 0 BCADRM 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C[C@@H](CC(=O)[O-])CC(=O)NCCC1CC(O)C1 ZINC000702478692 712054532 /nfs/dbraw/zinc/05/45/32/712054532.db2.gz HGHVYWRUXCPGJV-XNWIYYODSA-N -1 0 243.303 0.765 20 0 BCADRM CSCC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000702579705 712055605 /nfs/dbraw/zinc/05/56/05/712055605.db2.gz OJHCHKLAJSZZOB-SSDOTTSWSA-N -1 0 215.274 0.639 20 0 BCADRM Cc1nc(NCCOCCF)ncc1C(=O)[O-] ZINC000702580513 712055744 /nfs/dbraw/zinc/05/57/44/712055744.db2.gz RNBOHMHWDSKZLA-UHFFFAOYSA-N -1 0 243.238 0.881 20 0 BCADRM CN(CC1(C)COC1)C(=O)CCCC(=O)[O-] ZINC000702952710 712062126 /nfs/dbraw/zinc/06/21/26/712062126.db2.gz RBCGGDXCOQMGNG-UHFFFAOYSA-N -1 0 229.276 0.736 20 0 BCADRM CC(C)(C)OCC(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000702949528 712062142 /nfs/dbraw/zinc/06/21/42/712062142.db2.gz VRSVCTXTDSMGHH-APPZFPTMSA-N -1 0 245.275 0.160 20 0 BCADRM CN(CC1(C)COC1)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000702958228 712062290 /nfs/dbraw/zinc/06/22/90/712062290.db2.gz OMBSCXZFDHOADL-BDAKNGLRSA-N -1 0 241.287 0.592 20 0 BCADRM 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ZINC000137959237 491110087 /nfs/dbraw/zinc/11/00/87/491110087.db2.gz NZAQIQNGCGQHKW-IONNQARKSA-N -1 0 244.291 0.574 20 0 BCADRM CC(C)(C)n1ncn(CCCC(=O)[O-])c1=O ZINC000582606798 357349319 /nfs/dbraw/zinc/34/93/19/357349319.db2.gz XEFOEMDDCKSTNG-UHFFFAOYSA-N -1 0 227.264 0.665 20 0 BCADRM CC[C@](C)(NC(=O)[C@@H](C)C(=O)[O-])C(=O)OC ZINC000582610327 357350251 /nfs/dbraw/zinc/35/02/51/357350251.db2.gz VHGMIUSVMUWPJY-LDWIPMOCSA-N -1 0 231.248 0.165 20 0 BCADRM CCC(CC)S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000582781177 357391226 /nfs/dbraw/zinc/39/12/26/357391226.db2.gz VXQTUFARUKIQLB-ZKCHVHJHSA-N -1 0 249.332 0.958 20 0 BCADRM Cc1cn(C)nc1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000582797038 357398833 /nfs/dbraw/zinc/39/88/33/357398833.db2.gz HGWMFTMWWMIVFQ-MRVPVSSYSA-N -1 0 239.275 0.712 20 0 BCADRM CC(C)OC(=O)c1ccn(CC(=O)[O-])c(=O)c1 ZINC000582845984 357409558 /nfs/dbraw/zinc/40/95/58/357409558.db2.gz SHSZWADTSOQOHV-UHFFFAOYSA-N -1 0 239.227 0.498 20 0 BCADRM CC[C@H](NC(=O)NC[C@]1(C)CCOC1)C(=O)[O-] ZINC000397141120 357505308 /nfs/dbraw/zinc/50/53/08/357505308.db2.gz ATONREHRUCPWIE-KWQFWETISA-N -1 0 244.291 0.575 20 0 BCADRM COC[C@H](NC(=O)C(C)(C)C(=O)[O-])C1CC1 ZINC000397328775 357512608 /nfs/dbraw/zinc/51/26/08/357512608.db2.gz PUZRADXAJLCZTD-QMMMGPOBSA-N -1 0 229.276 0.638 20 0 BCADRM Cc1ncn(CCCC(=O)[O-])c(=O)c1C ZINC000395557673 357444562 /nfs/dbraw/zinc/44/45/62/357444562.db2.gz IVPWUWIGSQOEJF-UHFFFAOYSA-N -1 0 210.233 0.725 20 0 BCADRM C[C@@H](CN=c1nn[n-]n1C)CC(F)(F)F ZINC000397006731 357489117 /nfs/dbraw/zinc/48/91/17/357489117.db2.gz MQQMUSOFTHKGTP-RXMQYKEDSA-N -1 0 223.202 0.632 20 0 BCADRM Cc1ccc(NC(=O)Cc2nc(=O)o[n-]2)cc1 ZINC000033975782 357493713 /nfs/dbraw/zinc/49/37/13/357493713.db2.gz AJWJHPWDEGJWAE-UHFFFAOYSA-N -1 0 233.227 0.853 20 0 BCADRM C[C@@H](C(=O)[O-])C(=O)Nc1cnn(CC(F)F)c1 ZINC000583144041 357494018 /nfs/dbraw/zinc/49/40/18/357494018.db2.gz MWDCXLDXMASPQE-RXMQYKEDSA-N -1 0 247.201 0.807 20 0 BCADRM C[C@@H](NC(=O)[C@H](C)c1ccnn1C)C(=O)[O-] ZINC000583204275 357519793 /nfs/dbraw/zinc/51/97/93/357519793.db2.gz GEJGSBKMBORBNV-RNFRBKRXSA-N -1 0 225.248 0.113 20 0 BCADRM C[C@@H](CNC(=O)[C@H](C)C(=O)[O-])C[C@H](C)O ZINC000397857811 357737850 /nfs/dbraw/zinc/73/78/50/357737850.db2.gz VRGNUNRVKOFUBU-CSMHCCOUSA-N -1 0 217.265 0.230 20 0 BCADRM C[C@@H](CNC(=O)[C@@H](C)C(=O)[O-])C[C@H](C)O ZINC000397857815 357737855 /nfs/dbraw/zinc/73/78/55/357737855.db2.gz VRGNUNRVKOFUBU-GJMOJQLCSA-N -1 0 217.265 0.230 20 0 BCADRM CC[C@H](NC(=O)NCc1ncoc1C)C(=O)[O-] ZINC000397906870 357797384 /nfs/dbraw/zinc/79/73/84/357797384.db2.gz FLBCKAQCCXUKAU-ZETCQYMHSA-N -1 0 241.247 0.645 20 0 BCADRM Cc1ncc(CNC(=O)NCCCC(=O)[O-])o1 ZINC000397906981 357797490 /nfs/dbraw/zinc/79/74/90/357797490.db2.gz ZKZOEQCWNJYSDZ-UHFFFAOYSA-N -1 0 241.247 0.647 20 0 BCADRM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@H]1C(=O)[O-] ZINC000235292505 357852585 /nfs/dbraw/zinc/85/25/85/357852585.db2.gz AWRCIGVYYFEDLJ-PSASIEDQSA-N -1 0 249.270 0.802 20 0 BCADRM C[C@@H]1CCCN(C(=O)[C@H]2CCCO2)[C@@H]1C(=O)[O-] ZINC000235373954 357859544 /nfs/dbraw/zinc/85/95/44/357859544.db2.gz MMASSFAHEDQUFR-BBBLOLIVSA-N -1 0 241.287 0.877 20 0 BCADRM O=C([O-])CC1(NC(=O)c2cscn2)CC1 ZINC000398295441 357882976 /nfs/dbraw/zinc/88/29/76/357882976.db2.gz RKQFHNFOBPQQMR-UHFFFAOYSA-N -1 0 226.257 0.880 20 0 BCADRM Cc1cc(C(=O)NC2(CC(=O)[O-])CC2)n(C)n1 ZINC000398288983 357883000 /nfs/dbraw/zinc/88/30/00/357883000.db2.gz HIKGZNOVBXEZPR-UHFFFAOYSA-N -1 0 237.259 0.466 20 0 BCADRM Cc1cc(C(=O)NC2(CC(=O)[O-])CC2)[nH]n1 ZINC000398431013 357885729 /nfs/dbraw/zinc/88/57/29/357885729.db2.gz SOTBZZCWRHROFP-UHFFFAOYSA-N -1 0 223.232 0.455 20 0 BCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc[nH]n2)C1 ZINC000398995467 357892720 /nfs/dbraw/zinc/89/27/20/357892720.db2.gz JYWUMPVIWJHTBR-JGVFFNPUSA-N -1 0 237.259 0.593 20 0 BCADRM CC(C)C[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)C(=O)[O-] ZINC000399149580 357896382 /nfs/dbraw/zinc/89/63/82/357896382.db2.gz YLFWSSFRQIMDQW-ZJUUUORDSA-N -1 0 242.319 0.729 20 0 BCADRM C[C@H](C(=O)[O-])C(=O)N(C)C[C@H]1CCOC1 ZINC000399321658 357903513 /nfs/dbraw/zinc/90/35/13/357903513.db2.gz JSJUEOPJNQLKNO-JGVFFNPUSA-N -1 0 215.249 0.202 20 0 BCADRM CCC[C@H](O)CNC(=O)CSCC(=O)[O-] ZINC000217685179 357909693 /nfs/dbraw/zinc/90/96/93/357909693.db2.gz IYKIZZGNFLEEKJ-ZETCQYMHSA-N -1 0 235.305 0.081 20 0 BCADRM C[C@](O)(CNC(=O)C1(CF)CCC1)C(=O)[O-] ZINC000584411675 357914758 /nfs/dbraw/zinc/91/47/58/357914758.db2.gz OMQFLVDMPNUPKC-VIFPVBQESA-N -1 0 233.239 0.078 20 0 BCADRM C[C@@H](O)[C@@H](NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000021967868 357964011 /nfs/dbraw/zinc/96/40/11/357964011.db2.gz FADXUWPDOUTCNH-VXNVDRBHSA-N -1 0 238.243 0.642 20 0 BCADRM CN(CCCC(=O)[O-])C(=O)c1ccc[nH]c1=O ZINC000034973956 357965505 /nfs/dbraw/zinc/96/55/05/357965505.db2.gz CIDUPECDZGNECS-UHFFFAOYSA-N -1 0 238.243 0.312 20 0 BCADRM CC[C@@H](O)CCNC(=O)CCC(=O)[O-] ZINC000218750097 357970232 /nfs/dbraw/zinc/97/02/32/357970232.db2.gz YOPCTNANOXYFRR-SSDOTTSWSA-N -1 0 203.238 0.128 20 0 BCADRM CC[C@@H](C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000022157081 357976678 /nfs/dbraw/zinc/97/66/78/357976678.db2.gz VSVZTMFEKDMIIV-ZCFIWIBFSA-N -1 0 246.288 0.790 20 0 BCADRM CCC[C@H](C(=O)[O-])[S@](=O)[C@H]1CCOC1 ZINC000583856521 357991511 /nfs/dbraw/zinc/99/15/11/357991511.db2.gz LPHUYZHROMIGSC-PSQXESDUSA-N -1 0 220.290 0.777 20 0 BCADRM CC[C@@H](Nc1cc(C)nc2ncnn21)C(=O)[O-] ZINC000035663706 358001134 /nfs/dbraw/zinc/00/11/34/358001134.db2.gz CXRWSVUXUZPFSI-SSDOTTSWSA-N -1 0 235.247 0.708 20 0 BCADRM C[C@@H](C[S@](C)=O)Nc1ncccc1C(=O)[O-] ZINC000169008174 358008929 /nfs/dbraw/zinc/00/89/29/358008929.db2.gz NMHWKUMBWCDNGD-HYORBCNSSA-N -1 0 242.300 0.959 20 0 BCADRM C[C@@H](O)CCN(C)C(=O)NCCCC(=O)[O-] ZINC000219820364 358013769 /nfs/dbraw/zinc/01/37/69/358013769.db2.gz QWECHYTVGIHEKC-MRVPVSSYSA-N -1 0 232.280 0.264 20 0 BCADRM Cc1csc(NC(=O)N(C)CC(=O)[O-])n1 ZINC000036730116 358046871 /nfs/dbraw/zinc/04/68/71/358046871.db2.gz QGFAOGZCKCZKRJ-UHFFFAOYSA-N -1 0 229.261 1.000 20 0 BCADRM Cc1cnn(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC000584541681 358050356 /nfs/dbraw/zinc/05/03/56/358050356.db2.gz VHBDLKXTECRDBR-KYZUINATSA-N -1 0 237.259 0.171 20 0 BCADRM CCOCC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000036946964 358056649 /nfs/dbraw/zinc/05/66/49/358056649.db2.gz JJXCFRYUNLLKAW-JTQLQIEISA-N -1 0 215.249 0.392 20 0 BCADRM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)no1 ZINC000036946982 358056448 /nfs/dbraw/zinc/05/64/48/358056448.db2.gz APNDFVBTYWERAO-NSHDSACASA-N -1 0 238.243 0.966 20 0 BCADRM O=C([O-])CCN(C(=O)c1cncnc1)C1CC1 ZINC000229799071 491120187 /nfs/dbraw/zinc/12/01/87/491120187.db2.gz OBDXDGHSOPHPSX-UHFFFAOYSA-N -1 0 235.243 0.556 20 0 BCADRM CCN(CCC1CC1)C(=O)c1n[nH]c(=O)[n-]1 ZINC000546905735 325317607 /nfs/dbraw/zinc/31/76/07/325317607.db2.gz XICVIHSSHSGBBP-UHFFFAOYSA-N -1 0 224.264 0.773 20 0 BCADRM CC[C@@H](Nc1ccc(C(=O)OC)nn1)C(=O)[O-] ZINC000037526838 358085501 /nfs/dbraw/zinc/08/55/01/358085501.db2.gz RWWGSBWPFLPCBF-ZCFIWIBFSA-N -1 0 239.231 0.538 20 0 BCADRM CO[C@@H]1C[C@H](C(=O)[O-])N(Cc2ncc(C)o2)C1 ZINC000583877572 358097856 /nfs/dbraw/zinc/09/78/56/358097856.db2.gz PUMONYQYVXIIQV-RKDXNWHRSA-N -1 0 240.259 0.657 20 0 BCADRM NC(=O)c1cccc(C[S@](=O)CC(=O)[O-])c1 ZINC000037921678 358098343 /nfs/dbraw/zinc/09/83/43/358098343.db2.gz BEQIJPRNYPLWTO-MRXNPFEDSA-N -1 0 241.268 0.119 20 0 BCADRM CCOc1nccnc1N1CC[C@@H](C(=O)[O-])C1 ZINC000584769066 358171153 /nfs/dbraw/zinc/17/11/53/358171153.db2.gz FXHSICNHCPQEPK-MRVPVSSYSA-N -1 0 237.259 0.786 20 0 BCADRM CCC[C@@H](C)CS(=O)(=O)NCC(=O)OC ZINC000172086785 134261197 /nfs/dbraw/zinc/26/11/97/134261197.db2.gz FPJBJAPIEXNVQC-MRVPVSSYSA-N -1 0 237.321 0.515 20 0 BCADRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)NCC2CC2)C1 ZINC000040531918 358238832 /nfs/dbraw/zinc/23/88/32/358238832.db2.gz GBWCULFHVNFHIL-RKDXNWHRSA-N -1 0 242.275 0.280 20 0 BCADRM CC[C@@H](NC(=O)NCc1ccco1)C(=O)[O-] ZINC000040524700 358238859 /nfs/dbraw/zinc/23/88/59/358238859.db2.gz SFXCTZQRXKCCQH-MRVPVSSYSA-N -1 0 226.232 0.942 20 0 BCADRM C[C@@H](O)[C@@H](NC(=O)Nc1cccnc1)C(=O)[O-] ZINC000040531665 358238887 /nfs/dbraw/zinc/23/88/87/358238887.db2.gz FJCDNXFIYHHMJZ-HTRCEHHLSA-N -1 0 239.231 0.037 20 0 BCADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC2)C1 ZINC000040531920 358238907 /nfs/dbraw/zinc/23/89/07/358238907.db2.gz GBWCULFHVNFHIL-BDAKNGLRSA-N -1 0 242.275 0.280 20 0 BCADRM CC[C@H](NC(=O)NCCCOC)C(=O)[O-] ZINC000040560124 358239297 /nfs/dbraw/zinc/23/92/97/358239297.db2.gz HLKCIZZLQORGRI-ZETCQYMHSA-N -1 0 218.253 0.185 20 0 BCADRM CC/C=C\CNc1nc2n[nH]cc2c(=O)[nH]1 ZINC000450696068 202237595 /nfs/dbraw/zinc/23/75/95/202237595.db2.gz RTZRNHVJTODHFV-ARJAWSKDSA-N -1 0 219.248 0.810 20 0 BCADRM CC(C)C[C@H](C)NC(=O)NCC(=O)[O-] ZINC000040572893 358241881 /nfs/dbraw/zinc/24/18/81/358241881.db2.gz HPPNQDLRJWYUFL-ZETCQYMHSA-N -1 0 202.254 0.805 20 0 BCADRM O=C([O-])CCCNC(=O)N1CCC[C@H](CO)C1 ZINC000040582463 358242156 /nfs/dbraw/zinc/24/21/56/358242156.db2.gz NURFBNFUWQSFCX-VIFPVBQESA-N -1 0 244.291 0.265 20 0 BCADRM 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411152896 /nfs/dbraw/zinc/15/28/96/411152896.db2.gz QYANWXPOHKDLLH-VXNVDRBHSA-N -1 0 226.276 0.901 20 0 BCADRM CCC1(CNC(=O)NC[C@H](C)C(=O)[O-])COC1 ZINC000655878932 411152964 /nfs/dbraw/zinc/15/29/64/411152964.db2.gz ICMWBMGNYZXFSJ-QMMMGPOBSA-N -1 0 244.291 0.433 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)C(=O)NC[C@H]1CCOC1 ZINC000061148066 411153373 /nfs/dbraw/zinc/15/33/73/411153373.db2.gz GVXNPUYMOJZWOT-JGVFFNPUSA-N -1 0 230.264 0.137 20 0 BCADRM C[C@H](CNC(=O)NC[C@@H](C)C[C@H](C)O)C(=O)[O-] ZINC000655884883 411153515 /nfs/dbraw/zinc/15/35/15/411153515.db2.gz LEWPCNNAOLEJCY-YIZRAAEISA-N -1 0 246.307 0.413 20 0 BCADRM CCC[C@@](C)(CO)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655884433 411153530 /nfs/dbraw/zinc/15/35/30/411153530.db2.gz GKURTPRQZUGMMP-KCJUWKMLSA-N -1 0 246.307 0.557 20 0 BCADRM C[C@H](CNC(=O)NC[C@@H](O)C1CCC1)C(=O)[O-] ZINC000655882091 411153763 /nfs/dbraw/zinc/15/37/63/411153763.db2.gz DXEJPRTVFSXQJZ-VXNVDRBHSA-N -1 0 244.291 0.167 20 0 BCADRM C[C@H](CCCO)CNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655881985 411154050 /nfs/dbraw/zinc/15/40/50/411154050.db2.gz SIYPSCPIDWPBAF-RKDXNWHRSA-N -1 0 246.307 0.415 20 0 BCADRM CCC[C@](C)(O)CNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655887342 411154648 /nfs/dbraw/zinc/15/46/48/411154648.db2.gz LPFIFBSXAANHSL-KCJUWKMLSA-N -1 0 246.307 0.557 20 0 BCADRM CC[C@](C)(CCO)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655889579 411154744 /nfs/dbraw/zinc/15/47/44/411154744.db2.gz STMSXLGCUMXRTI-GZMMTYOYSA-N -1 0 246.307 0.557 20 0 BCADRM CC[C@H](C)[C@H](O)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655887860 411154755 /nfs/dbraw/zinc/15/47/55/411154755.db2.gz QGKPBWNVFGRUJT-XHNCKOQMSA-N -1 0 246.307 0.413 20 0 BCADRM CC(C)[C@H](CNC(=O)NC[C@@H](C)CO)C(=O)[O-] ZINC000655891884 411155584 /nfs/dbraw/zinc/15/55/84/411155584.db2.gz KYINTDMWLOFBFC-BDAKNGLRSA-N -1 0 246.307 0.271 20 0 BCADRM CC[C@H](O)CNC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655896677 411155600 /nfs/dbraw/zinc/15/56/00/411155600.db2.gz NMWXRXVDKXMMCR-DTWKUNHWSA-N -1 0 246.307 0.413 20 0 BCADRM 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/nfs/dbraw/zinc/71/41/87/588714187.db2.gz MLZOERQOBVIBJN-ZETCQYMHSA-N -1 0 243.259 0.309 20 0 BCADRM CON(C)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000852951986 588714227 /nfs/dbraw/zinc/71/42/27/588714227.db2.gz IVPSPFARIBOVTB-LURJTMIESA-N -1 0 203.238 0.753 20 0 BCADRM COC1CC(CCNC(=O)COCC(=O)[O-])C1 ZINC000852954879 588714420 /nfs/dbraw/zinc/71/44/20/588714420.db2.gz VWWSSKRCGOHOQE-UHFFFAOYSA-N -1 0 245.275 0.019 20 0 BCADRM CC(C)(F)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000852954152 588714427 /nfs/dbraw/zinc/71/44/27/588714427.db2.gz PZRDEVWESOFOHR-RDDDGLTNSA-N -1 0 245.250 0.294 20 0 BCADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1ncccn1 ZINC000852956466 588714462 /nfs/dbraw/zinc/71/44/62/588714462.db2.gz LNRSLAPPAAEYHH-LBPRGKRZSA-N -1 0 249.270 0.594 20 0 BCADRM CCN(C(=O)/C=C/c1cnccn1)[C@@H](C)C(=O)[O-] ZINC000852954847 588714598 /nfs/dbraw/zinc/71/45/98/588714598.db2.gz VGUQPDREEIXTTI-MOVJSRMASA-N -1 0 249.270 0.811 20 0 BCADRM CSc1cc(C)c(C(=O)[N-]S(C)(=O)=O)o1 ZINC000853095942 588719631 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/nfs/dbraw/zinc/77/75/62/588777562.db2.gz TUQUTGCMQBDEED-YUMQZZPRSA-N -1 0 235.305 0.125 20 0 BCADRM CCOCCS(=O)(=O)[N-]C(=O)CC1CC1 ZINC000111981484 588777676 /nfs/dbraw/zinc/77/76/76/588777676.db2.gz GRZHEWFOKNYUDM-UHFFFAOYSA-N -1 0 235.305 0.269 20 0 BCADRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cocn1 ZINC000111985584 588777793 /nfs/dbraw/zinc/77/77/93/588777793.db2.gz SNHFTYBYEOXADV-UHFFFAOYSA-N -1 0 246.288 0.780 20 0 BCADRM CCCCCC(=O)[N-]S(=O)(=O)CCOC ZINC000111994365 588778026 /nfs/dbraw/zinc/77/80/26/588778026.db2.gz ATILKKVQTKABEO-UHFFFAOYSA-N -1 0 237.321 0.659 20 0 BCADRM CCO[N-]C(=O)CNC(=O)N[C@@]1(C)CC1(C)C ZINC000854215914 588779799 /nfs/dbraw/zinc/77/97/99/588779799.db2.gz RJFDHSKNINRLQU-NSHDSACASA-N -1 0 243.307 0.542 20 0 BCADRM COCCCO[N-]C(=O)[C@H]1CC(C)=NO1 ZINC000854449446 588787184 /nfs/dbraw/zinc/78/71/84/588787184.db2.gz IPGRNVYBORTPFS-MRVPVSSYSA-N -1 0 216.237 0.236 20 0 BCADRM O=C(c1cc(=O)[nH][n-]1)N1CC[C@H]1C(F)(F)F ZINC000854520322 588789729 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588797377 /nfs/dbraw/zinc/79/73/77/588797377.db2.gz IOBPQUPJBYIZGV-UHFFFAOYSA-N -1 0 248.189 0.195 20 0 BCADRM CCC(C)=C(C)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854614095 588797470 /nfs/dbraw/zinc/79/74/70/588797470.db2.gz XVDNNCXPYNDPDG-WAYWQWQTSA-N -1 0 226.236 0.506 20 0 BCADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CC12CCCC2 ZINC000854612727 588797542 /nfs/dbraw/zinc/79/75/42/588797542.db2.gz LHIPCTUEEYRBFO-ZCFIWIBFSA-N -1 0 238.247 0.340 20 0 BCADRM C[C@H]1CC[C@@H](C(=O)Nn2c(=O)[n-][nH]c2=O)C1 ZINC000854613440 588797550 /nfs/dbraw/zinc/79/75/50/588797550.db2.gz RBFTZKREXRKQAH-NTSWFWBYSA-N -1 0 226.236 0.196 20 0 BCADRM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nn1c(=O)[n-][nH]c1=O ZINC000854613289 588797620 /nfs/dbraw/zinc/79/76/20/588797620.db2.gz WNVLVGWINHKMSJ-VQVTYTSYSA-N -1 0 238.247 0.196 20 0 BCADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CC12CCCC2 ZINC000854612724 588797634 /nfs/dbraw/zinc/79/76/34/588797634.db2.gz LHIPCTUEEYRBFO-LURJTMIESA-N -1 0 238.247 0.340 20 0 BCADRM O=C([N-]OCCC1CC1)c1cn[nH]c(=O)c1 ZINC000854640647 588798917 /nfs/dbraw/zinc/79/89/17/588798917.db2.gz UVGDXRMYQRLABQ-UHFFFAOYSA-N -1 0 223.232 0.644 20 0 BCADRM Cn1nncc1CC(=O)[N-]OCCC1CC1 ZINC000854640632 588798963 /nfs/dbraw/zinc/79/89/63/588798963.db2.gz UDUWPZDJIBNANG-UHFFFAOYSA-N -1 0 224.264 0.206 20 0 BCADRM CCOC1(C(=O)[N-]OC(C)(C)CO)CCC1 ZINC000854755206 588805632 /nfs/dbraw/zinc/80/56/32/588805632.db2.gz XFSBLSZVVGDJGA-UHFFFAOYSA-N -1 0 231.292 0.764 20 0 BCADRM Cn1[n-]c(C(=O)N2C[C@@H](F)[C@@H](F)C2)cc1=O ZINC000854781960 588809100 /nfs/dbraw/zinc/80/91/00/588809100.db2.gz ZLXLPLCGIQVMGH-OLQVQODUSA-N -1 0 231.202 0.258 20 0 BCADRM CC1=NO[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000854794880 588809907 /nfs/dbraw/zinc/80/99/07/588809907.db2.gz QWMZHAAUMZMITA-RXMQYKEDSA-N -1 0 210.155 0.830 20 0 BCADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCOC1 ZINC000854806695 588811479 /nfs/dbraw/zinc/81/14/79/588811479.db2.gz WYSAWTMRMUUAJS-UHFFFAOYSA-N -1 0 245.238 0.765 20 0 BCADRM CN(CCC(=O)[O-])C(=O)NCc1ccnn1C ZINC000112740450 588815405 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/nfs/dbraw/zinc/22/98/59/587229859.db2.gz FHNDSTZGYLZSRX-POYBYMJQSA-N -1 0 231.248 0.753 20 0 BCADRM CC(=O)CCCCn1nnnc1CNC(=O)[O-] ZINC000823532394 587229978 /nfs/dbraw/zinc/22/99/78/587229978.db2.gz JFPKGIQYKJNZBF-UHFFFAOYSA-N -1 0 241.251 0.200 20 0 BCADRM CC(=O)COC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000823539528 587230172 /nfs/dbraw/zinc/23/01/72/587230172.db2.gz YOECCYCARXDUIC-JTQLQIEISA-N -1 0 229.232 0.509 20 0 BCADRM CC(=O)COC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000823539217 587230173 /nfs/dbraw/zinc/23/01/73/587230173.db2.gz VSHAPVCDFVYRDD-JGVFFNPUSA-N -1 0 229.232 0.555 20 0 BCADRM CC(=O)COC(=O)CC1(NC(=O)[O-])CCC1 ZINC000823538969 587230178 /nfs/dbraw/zinc/23/01/78/587230178.db2.gz RVRHEENXDJJDFB-UHFFFAOYSA-N -1 0 229.232 0.699 20 0 BCADRM CC(=O)[C@@H](C)OC(=O)C[C@H](C)NC(=O)[O-] ZINC000823534644 587230240 /nfs/dbraw/zinc/23/02/40/587230240.db2.gz ZMFWWCYJXQOPLX-CAHLUQPWSA-N -1 0 217.221 0.553 20 0 BCADRM CC(=O)O[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000823621840 587233401 /nfs/dbraw/zinc/23/34/01/587233401.db2.gz AZECGIJHVKVFHI-SFYZADRCSA-N -1 0 201.222 0.986 20 0 BCADRM C[C@@H](C(=O)NC1CN(C(=O)[O-])C1)C1CC1 ZINC000823686746 587236122 /nfs/dbraw/zinc/23/61/22/587236122.db2.gz RPECLUBATMTOBH-ZCFIWIBFSA-N -1 0 212.249 0.511 20 0 BCADRM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000823688083 587236467 /nfs/dbraw/zinc/23/64/67/587236467.db2.gz YYOIUXJXDSMVLU-VXNVDRBHSA-N -1 0 226.276 0.901 20 0 BCADRM C[C@H](C(N)=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823738282 587238831 /nfs/dbraw/zinc/23/88/31/587238831.db2.gz UONQLMNPNALRNQ-HLTSFMKQSA-N -1 0 241.291 0.077 20 0 BCADRM CC(C)(C)[C@H](O)CNC(=O)CCCNC(=O)[O-] ZINC000823760575 587239806 /nfs/dbraw/zinc/23/98/06/587239806.db2.gz STFURCKFCVEHEY-MRVPVSSYSA-N -1 0 246.307 0.557 20 0 BCADRM c1cc(CNc2ncccc2-c2nn[nH]n2)no1 ZINC000823809936 587241032 /nfs/dbraw/zinc/24/10/32/587241032.db2.gz RYFIZWOWPBFMLX-UHFFFAOYSA-N -1 0 243.230 0.862 20 0 BCADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CC[C@H](O)C1 ZINC000823843925 587242358 /nfs/dbraw/zinc/24/23/58/587242358.db2.gz WBMWPGAFMBSMAT-JGVFFNPUSA-N -1 0 244.291 0.262 20 0 BCADRM CC(C)(CNC(=O)C1=COCC1)NC(=O)[O-] ZINC000823900347 587245561 /nfs/dbraw/zinc/24/55/61/587245561.db2.gz IQZGPVUWZLQECW-UHFFFAOYSA-N -1 0 228.248 0.453 20 0 BCADRM CC(C)(CNC(=O)[O-])C(=O)NC[C@H]1CCCO1 ZINC000823957157 587246980 /nfs/dbraw/zinc/24/69/80/587246980.db2.gz WWXUNBPTLYIRFF-MRVPVSSYSA-N -1 0 244.291 0.575 20 0 BCADRM CC(C)(CNC(=O)[O-])C(=O)O[C@@H]1CCOC1 ZINC000823969787 587247151 /nfs/dbraw/zinc/24/71/51/587247151.db2.gz VMNCNQDPCWVCDB-SSDOTTSWSA-N -1 0 231.248 0.612 20 0 BCADRM CC(C)(CO)CNC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000824014923 587247947 /nfs/dbraw/zinc/24/79/47/587247947.db2.gz FXPKBRFFUDTSGZ-QMMMGPOBSA-N -1 0 244.291 0.121 20 0 BCADRM CC(C)(CNc1cccnn1)NC(=O)[O-] ZINC000824011580 587248211 /nfs/dbraw/zinc/24/82/11/587248211.db2.gz UTXMGFWFZANWIC-UHFFFAOYSA-N -1 0 210.237 0.935 20 0 BCADRM CC(C)(NC(=O)[O-])C(=O)NC[C@@](C)(O)C1CC1 ZINC000824020290 587248430 /nfs/dbraw/zinc/24/84/30/587248430.db2.gz IJMIKUJGWPGREO-LLVKDONJSA-N -1 0 244.291 0.310 20 0 BCADRM CC(C)(NC(=O)[O-])C(=O)NCCCF ZINC000824025299 587248880 /nfs/dbraw/zinc/24/88/80/587248880.db2.gz NYJZRGRNJMYRLU-UHFFFAOYSA-N -1 0 206.217 0.508 20 0 BCADRM CC(C)(O)CNC(=O)CC(C)(C)NC(=O)[O-] ZINC000824034515 587250088 /nfs/dbraw/zinc/25/00/88/587250088.db2.gz DLGRELPOJZMVSC-UHFFFAOYSA-N -1 0 232.280 0.310 20 0 BCADRM CC(C)C(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000824042872 587251396 /nfs/dbraw/zinc/25/13/96/587251396.db2.gz CTNJLVOSBOSDIV-MRVPVSSYSA-N -1 0 214.265 0.853 20 0 BCADRM CC(C)[C@](C)(O)CNC(=O)[C@H](C)NC(=O)[O-] ZINC000824064310 587253291 /nfs/dbraw/zinc/25/32/91/587253291.db2.gz KPQCVVRCCRTLTR-OIBJUYFYSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)[C@H](C)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000824071909 587253700 /nfs/dbraw/zinc/25/37/00/587253700.db2.gz NJQRZERTMOJRER-DTWKUNHWSA-N -1 0 244.291 0.526 20 0 BCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CC[C@](C)(O)C1 ZINC000824138044 587257453 /nfs/dbraw/zinc/25/74/53/587257453.db2.gz ZGFRGEMWWDBZOH-KCJUWKMLSA-N -1 0 244.291 0.262 20 0 BCADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CC[C@@](C)(O)C1 ZINC000824138043 587257482 /nfs/dbraw/zinc/25/74/82/587257482.db2.gz ZGFRGEMWWDBZOH-GZMMTYOYSA-N -1 0 244.291 0.262 20 0 BCADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CC[C@](C)(O)C1 ZINC000824138045 587257501 /nfs/dbraw/zinc/25/75/01/587257501.db2.gz ZGFRGEMWWDBZOH-KWQFWETISA-N -1 0 244.291 0.262 20 0 BCADRM CC(C)[C@@H](O)CNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824143009 587258098 /nfs/dbraw/zinc/25/80/98/587258098.db2.gz IWNFPVLNEFJZRK-BDAKNGLRSA-N -1 0 244.291 0.119 20 0 BCADRM CC(C)[C@H]1CN(C(=O)CNC(=O)[O-])CCS1 ZINC000824158652 587258992 /nfs/dbraw/zinc/25/89/92/587258992.db2.gz SSWKFHRNKPOIPE-MRVPVSSYSA-N -1 0 246.332 0.854 20 0 BCADRM CC(C)CC(=O)COC(=O)CCNC(=O)[O-] ZINC000824165541 587259088 /nfs/dbraw/zinc/25/90/88/587259088.db2.gz YWTSKCQHTVFHGY-UHFFFAOYSA-N -1 0 231.248 0.803 20 0 BCADRM CC(C)C[C@H](O)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000824218619 587260533 /nfs/dbraw/zinc/26/05/33/587260533.db2.gz ODHDVPLFLNNIHJ-QMMMGPOBSA-N -1 0 246.307 0.556 20 0 BCADRM CC(C)[C@@H](O)CNc1cccc(-c2nn[nH]n2)n1 ZINC000824206440 587260629 /nfs/dbraw/zinc/26/06/29/587260629.db2.gz DRHBYQAAWKGXSO-VIFPVBQESA-N -1 0 248.290 0.691 20 0 BCADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H](C)CO ZINC000824210457 587260774 /nfs/dbraw/zinc/26/07/74/587260774.db2.gz GTOFMNOVMSOEFC-YUMQZZPRSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)C[C@H](O)CNC(=O)C1(NC(=O)[O-])CC1 ZINC000824217541 587260798 /nfs/dbraw/zinc/26/07/98/587260798.db2.gz GKNHGFKAODEEDA-QMMMGPOBSA-N -1 0 244.291 0.310 20 0 BCADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCC1 ZINC000824287419 587265166 /nfs/dbraw/zinc/26/51/66/587265166.db2.gz NRNGDGHCNHPSAM-QMMMGPOBSA-N -1 0 214.265 0.901 20 0 BCADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(N)=O ZINC000824304728 587265621 /nfs/dbraw/zinc/26/56/21/587265621.db2.gz IEYOASYNCRKVTO-RQJHMYQMSA-N -1 0 246.263 0.086 20 0 BCADRM CC(C)N(C)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000824323593 587265835 /nfs/dbraw/zinc/26/58/35/587265835.db2.gz GLKURLTVXCWNPY-QMMMGPOBSA-N -1 0 229.280 0.789 20 0 BCADRM CC(C)N(C)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000824323811 587266250 /nfs/dbraw/zinc/26/62/50/587266250.db2.gz LUSSUUTYXQUDCC-SNVBAGLBSA-N -1 0 232.255 0.945 20 0 BCADRM CC(C)N(CCC(=O)NCC(C)(C)O)C(=O)[O-] ZINC000824335393 587266444 /nfs/dbraw/zinc/26/64/44/587266444.db2.gz AEBAVKAAMABVOE-UHFFFAOYSA-N -1 0 246.307 0.652 20 0 BCADRM CC(C)N(CCC(=O)N1CC[C@H](O)C1)C(=O)[O-] ZINC000824336425 587266695 /nfs/dbraw/zinc/26/66/95/587266695.db2.gz PUCAZSYNHZCCCS-VIFPVBQESA-N -1 0 244.291 0.358 20 0 BCADRM CC(C)N1C(=O)CN(C(=O)[O-])CC1(C)C ZINC000824351519 587267205 /nfs/dbraw/zinc/26/72/05/587267205.db2.gz OMKUZJVLMRQKJA-UHFFFAOYSA-N -1 0 214.265 0.996 20 0 BCADRM CC(C)NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000824369450 587267533 /nfs/dbraw/zinc/26/75/33/587267533.db2.gz RRPKQTXOPJSRMA-JTQLQIEISA-N -1 0 214.265 0.901 20 0 BCADRM CC(C)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824369934 587267604 /nfs/dbraw/zinc/26/76/04/587267604.db2.gz WODRZAQHHOKONX-QMMMGPOBSA-N -1 0 230.264 0.280 20 0 BCADRM CC(C)OC(=O)[C@@H](C)N(C)CCNC(=O)[O-] ZINC000824387961 587268823 /nfs/dbraw/zinc/26/88/23/587268823.db2.gz IFDXHVPLBFNFNU-MRVPVSSYSA-N -1 0 232.280 0.526 20 0 BCADRM C[C@H](CCO)CNc1ccc(-c2nn[nH]n2)nn1 ZINC000824405878 587269575 /nfs/dbraw/zinc/26/95/75/587269575.db2.gz ARGIHHKEWNYHDT-SSDOTTSWSA-N -1 0 249.278 0.087 20 0 BCADRM C[C@@H](CC(=O)N(C)[C@H]1CCOC1)NC(=O)[O-] ZINC000824549508 587275492 /nfs/dbraw/zinc/27/54/92/587275492.db2.gz BIFVHWHUDWGIJY-YUMQZZPRSA-N -1 0 230.264 0.280 20 0 BCADRM CC(C)N(C)C(=O)C[C@@H](C)NC(=O)[O-] ZINC000824551121 587275782 /nfs/dbraw/zinc/27/57/82/587275782.db2.gz JRJYMHQLJVRHAF-SSDOTTSWSA-N -1 0 202.254 0.899 20 0 BCADRM C[C@H](CC(=O)N(C)CC1CC1)NC(=O)[O-] ZINC000824550609 587275935 /nfs/dbraw/zinc/27/59/35/587275935.db2.gz GPTCPQVAXFFWFV-SSDOTTSWSA-N -1 0 214.265 0.901 20 0 BCADRM C[C@@H](CC(=O)N(C)Cc1ccon1)NC(=O)[O-] ZINC000824558656 587276179 /nfs/dbraw/zinc/27/61/79/587276179.db2.gz UUBOSNLYNYELDH-ZETCQYMHSA-N -1 0 241.247 0.679 20 0 BCADRM C[C@H](CC(=O)N1C[C@H](C)OC[C@@H]1C)NC(=O)[O-] ZINC000824565312 587276575 /nfs/dbraw/zinc/27/65/75/587276575.db2.gz MKNQXTYKUSNFOL-VGMNWLOBSA-N -1 0 244.291 0.668 20 0 BCADRM C[C@@H](CC(=O)N1[C@H](C)COC[C@@H]1C)NC(=O)[O-] ZINC000824566095 587276702 /nfs/dbraw/zinc/27/67/02/587276702.db2.gz VXFRYUZSWCKVRA-XHNCKOQMSA-N -1 0 244.291 0.668 20 0 BCADRM C[C@H](CC(=O)N1CCC[C@@H](O)C1)NC(=O)[O-] ZINC000824582717 587278021 /nfs/dbraw/zinc/27/80/21/587278021.db2.gz QDMXGAQXRVLRPL-HTQZYQBOSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@@H](CC(=O)N1CCSCC1)NC(=O)[O-] ZINC000824598907 587278816 /nfs/dbraw/zinc/27/88/16/587278816.db2.gz IRJSHKQQXJZSHD-ZETCQYMHSA-N -1 0 232.305 0.608 20 0 BCADRM C[C@H](CC(=O)N1CCO[C@@H](C)[C@@H]1C)NC(=O)[O-] ZINC000824600549 587278868 /nfs/dbraw/zinc/27/88/68/587278868.db2.gz YXTDINPYAUIKJH-VGMNWLOBSA-N -1 0 244.291 0.668 20 0 BCADRM C[C@H](CC(=O)N1CCOC[C@@H]1C)NC(=O)[O-] ZINC000824598660 587278881 /nfs/dbraw/zinc/27/88/81/587278881.db2.gz GKRLAHOGJBUDOE-SFYZADRCSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@H](CC(=O)N1CCOCC1(C)C)NC(=O)[O-] ZINC000824600343 587279007 /nfs/dbraw/zinc/27/90/07/587279007.db2.gz XFCLUKMCAWHQDQ-MRVPVSSYSA-N -1 0 244.291 0.670 20 0 BCADRM C[C@H](CC(=O)N=c1sccn1C)NC(=O)[O-] ZINC000824605056 587279065 /nfs/dbraw/zinc/27/90/65/587279065.db2.gz HKUFRVRXUVKTKJ-ZCFIWIBFSA-N -1 0 243.288 0.560 20 0 BCADRM C[C@H](CCCO)NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824606285 587279126 /nfs/dbraw/zinc/27/91/26/587279126.db2.gz OUSKESPIZBSYSD-HTQZYQBOSA-N -1 0 232.280 0.310 20 0 BCADRM C[C@@H](CC(=O)NC(C)(C)C)NC(=O)[O-] ZINC000824607414 587279314 /nfs/dbraw/zinc/27/93/14/587279314.db2.gz YDRRRAJHHSDLTK-LURJTMIESA-N -1 0 202.254 0.947 20 0 BCADRM C[C@@H](CC(=O)N[C@@H]1CCSC1)NC(=O)[O-] ZINC000824620716 587279634 /nfs/dbraw/zinc/27/96/34/587279634.db2.gz AAZGRGVZEFKRHL-NKWVEPMBSA-N -1 0 232.305 0.654 20 0 BCADRM C[C@@H](CC(=O)NC[C@@]1(C)CCOC1)NC(=O)[O-] ZINC000824629209 587280089 /nfs/dbraw/zinc/28/00/89/587280089.db2.gz OCULHLRTTZVNQH-GZMMTYOYSA-N -1 0 244.291 0.575 20 0 BCADRM C[C@H](CC(=O)NCCCF)NC(=O)[O-] ZINC000824634402 587280114 /nfs/dbraw/zinc/28/01/14/587280114.db2.gz DTDAODHOZGONFY-ZCFIWIBFSA-N -1 0 206.217 0.508 20 0 BCADRM C[C@H](CC(=O)NCC(C)(C)CO)NC(=O)[O-] ZINC000824629175 587280280 /nfs/dbraw/zinc/28/02/80/587280280.db2.gz NRJPAPKRPZHVDW-SSDOTTSWSA-N -1 0 232.280 0.167 20 0 BCADRM C[C@@H](CC(=O)NC[C@@H](O)C(C)(C)C)NC(=O)[O-] ZINC000824627896 587280408 /nfs/dbraw/zinc/28/04/08/587280408.db2.gz AJOSWBCOLWSTKC-JGVFFNPUSA-N -1 0 246.307 0.556 20 0 BCADRM CC(C)OCCCNC(=O)C[C@H](C)NC(=O)[O-] ZINC000824646825 587280571 /nfs/dbraw/zinc/28/05/71/587280571.db2.gz PPBBIWWUZZOLEO-VIFPVBQESA-N -1 0 246.307 0.964 20 0 BCADRM C[C@@H](O)C[C@@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC000824700464 587283457 /nfs/dbraw/zinc/28/34/57/587283457.db2.gz YVHMDTIMFBWLNL-HTQZYQBOSA-N -1 0 248.290 0.833 20 0 BCADRM C[C@H](O)C[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC000824699285 587283507 /nfs/dbraw/zinc/28/35/07/587283507.db2.gz RBPOMVUVALVEFU-BQBZGAKWSA-N -1 0 249.278 0.228 20 0 BCADRM C[C@@H](O)C[C@@H](C)Nc1cccc(-c2nn[nH]n2)n1 ZINC000824699731 587283525 /nfs/dbraw/zinc/28/35/25/587283525.db2.gz VBNUZBKDGMEWOU-HTQZYQBOSA-N -1 0 248.290 0.833 20 0 BCADRM CC(C)[C@H](OC(=O)C[C@@H](C)NC(=O)[O-])C(N)=O ZINC000824709468 587283903 /nfs/dbraw/zinc/28/39/03/587283903.db2.gz BITPIUNKVNTNOT-SVRRBLITSA-N -1 0 246.263 0.086 20 0 BCADRM C[C@H](CC(=O)Nc1ccnn1C)NC(=O)[O-] ZINC000824710474 587283968 /nfs/dbraw/zinc/28/39/68/587283968.db2.gz IYMWFSCOTDZEQL-ZCFIWIBFSA-N -1 0 226.236 0.405 20 0 BCADRM C[C@@H](CC(=O)OCC(=O)C1CC1)NC(=O)[O-] ZINC000824720521 587284259 /nfs/dbraw/zinc/28/42/59/587284259.db2.gz OKJPSYMJESQCBD-LURJTMIESA-N -1 0 229.232 0.555 20 0 BCADRM C[C@H](CC(=O)O[C@@H](C)C(=O)N(C)C)NC(=O)[O-] ZINC000824720029 587284432 /nfs/dbraw/zinc/28/44/32/587284432.db2.gz MOSDZRMQWXPXFT-RQJHMYQMSA-N -1 0 246.263 0.053 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C/C(=C/CN(C)c1cnn(C)c1)C(=O)[O-] ZINC000825730032 587334196 /nfs/dbraw/zinc/33/41/96/587334196.db2.gz QFHNHUYTWHOMJK-YWEYNIOJSA-N -1 0 209.249 0.887 20 0 BCADRM CC1(C)OC[C@H](COC(=O)CCNC(=O)[O-])O1 ZINC000825738884 587335282 /nfs/dbraw/zinc/33/52/82/587335282.db2.gz DQYXMCDRUHBQPF-ZETCQYMHSA-N -1 0 247.247 0.339 20 0 BCADRM C[C@@]1(CNC(=O)C2(NC(=O)[O-])CC2)CCCO1 ZINC000825744159 587336448 /nfs/dbraw/zinc/33/64/48/587336448.db2.gz LYWGVUKVLADWLZ-JTQLQIEISA-N -1 0 242.275 0.472 20 0 BCADRM CC1(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000825743714 587336597 /nfs/dbraw/zinc/33/65/97/587336597.db2.gz GNQCCNXFGWTFAM-JGVFFNPUSA-N -1 0 242.275 0.016 20 0 BCADRM C/C(=C\CN1CCNC(=O)[C@@H]1C(C)C)C(=O)[O-] ZINC000825746886 587336627 /nfs/dbraw/zinc/33/66/27/587336627.db2.gz MLIRDOKOIBYZAB-LLGDCAAFSA-N -1 0 240.303 0.474 20 0 BCADRM CC1(CNC(=O)CCCNC(=O)[O-])CC1 ZINC000825748985 587336905 /nfs/dbraw/zinc/33/69/05/587336905.db2.gz HSTIMCGYNBPJSL-UHFFFAOYSA-N -1 0 214.265 0.951 20 0 BCADRM C[C@]1(COC(=O)C2(NC(=O)[O-])CC2)CCCO1 ZINC000825755416 587337641 /nfs/dbraw/zinc/33/76/41/587337641.db2.gz MTEXRKUILRGWIR-SNVBAGLBSA-N -1 0 243.259 0.899 20 0 BCADRM CC(C)(NC(=O)[O-])C(=O)N1CCC(C)(O)CC1 ZINC000825760457 587337668 /nfs/dbraw/zinc/33/76/68/587337668.db2.gz NGQODKREUWSNQT-UHFFFAOYSA-N -1 0 244.291 0.406 20 0 BCADRM C[C@]1(O)CCN(C(=O)CCCNC(=O)[O-])C1 ZINC000825761206 587337688 /nfs/dbraw/zinc/33/76/88/587337688.db2.gz XKVBKBJJJXKYEA-JTQLQIEISA-N -1 0 230.264 0.018 20 0 BCADRM C[C@@]1(O)CCN(C(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000825760023 587337856 /nfs/dbraw/zinc/33/78/56/587337856.db2.gz HNLILNVCIJJHPC-LDYMZIIASA-N -1 0 242.275 0.112 20 0 BCADRM CC(=O)CCC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000825814110 587338326 /nfs/dbraw/zinc/33/83/26/587338326.db2.gz YLHBAYWHCKADTE-APPZFPTMSA-N -1 0 227.260 0.535 20 0 BCADRM C/C(=C/COC(=O)c1cc(C)nn1C)C(=O)[O-] ZINC000825770490 587338570 /nfs/dbraw/zinc/33/85/70/587338570.db2.gz YULITHCOYQJPMK-DAXSKMNVSA-N -1 0 238.243 0.916 20 0 BCADRM C/C(=C\COC(=O)c1cc[nH]n1)C(=O)[O-] ZINC000825775719 587338699 /nfs/dbraw/zinc/33/86/99/587338699.db2.gz ZCMRDJVITHQGCC-ZZXKWVIFSA-N -1 0 210.189 0.597 20 0 BCADRM CC(=O)[C@H](C)OC(=O)C(C)(C)NC(=O)[O-] ZINC000825808787 587340140 /nfs/dbraw/zinc/34/01/40/587340140.db2.gz CVEKWIDIEORQNX-LURJTMIESA-N -1 0 217.221 0.553 20 0 BCADRM C[C@H]1CC[C@@H](C(=O)OCCCNC(=O)[O-])O1 ZINC000825866236 587340941 /nfs/dbraw/zinc/34/09/41/587340941.db2.gz OPCUZMYFDDOOHH-YUMQZZPRSA-N -1 0 231.248 0.755 20 0 BCADRM C[C@@H]1C[C@@H]1NC(=O)NC1CN(C(=O)[O-])C1 ZINC000825858738 587341491 /nfs/dbraw/zinc/34/14/91/587341491.db2.gz CVUDRRHPBZZDCL-VDTYLAMSSA-N -1 0 213.237 0.056 20 0 BCADRM C[C@@H]1C[C@@H]1CNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000825860706 587342091 /nfs/dbraw/zinc/34/20/91/587342091.db2.gz LLFQCTDFQCQNLM-SOCHQFKDSA-N -1 0 244.266 0.851 20 0 BCADRM C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000825858965 587342114 /nfs/dbraw/zinc/34/21/14/587342114.db2.gz DKDDAMOYILLHFL-HXFLIBJXSA-N -1 0 226.276 0.947 20 0 BCADRM C[C@@H]1C[C@H]1CNC(=O)NC(C)(C)CNC(=O)[O-] ZINC000825861149 587342403 /nfs/dbraw/zinc/34/24/03/587342403.db2.gz PFJGBEAWTGSGPT-SFYZADRCSA-N -1 0 243.307 0.988 20 0 BCADRM C[C@H]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)[O-])C2)O1 ZINC000825866508 587342567 /nfs/dbraw/zinc/34/25/67/587342567.db2.gz QKLHCKZNBSDPHE-DJLDLDEBSA-N -1 0 242.275 0.422 20 0 BCADRM C[C@H]1CC[C@H](C(=O)OC2(C)CN(C(=O)[O-])C2)O1 ZINC000825865738 587342660 /nfs/dbraw/zinc/34/26/60/587342660.db2.gz KVKAPZMPEXQVKW-JGVFFNPUSA-N -1 0 243.259 0.849 20 0 BCADRM C[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000825867238 587342904 /nfs/dbraw/zinc/34/29/04/587342904.db2.gz VERNLRNSWALSHD-BDAKNGLRSA-N -1 0 242.275 0.376 20 0 BCADRM C[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)[O-])C2)O1 ZINC000825867958 587343103 /nfs/dbraw/zinc/34/31/03/587343103.db2.gz YMDNZDIZOXUWGT-HTRCEHHLSA-N -1 0 228.248 0.032 20 0 BCADRM CC(=O)NCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000825870912 587343277 /nfs/dbraw/zinc/34/32/77/587343277.db2.gz IRPPIGLFQVUXMV-UHFFFAOYSA-N -1 0 242.256 0.521 20 0 BCADRM C[C@@H]1CCC[C@H]1NC(=O)NC1CN(C(=O)[O-])C1 ZINC000825889478 587344337 /nfs/dbraw/zinc/34/43/37/587344337.db2.gz YPZGAZOQPQITOS-VXNVDRBHSA-N -1 0 241.291 0.836 20 0 BCADRM C[C@H]1CCCN1C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000825932929 587345823 /nfs/dbraw/zinc/34/58/23/587345823.db2.gz ZREPEMDHZZRHBE-IUCAKERBSA-N -1 0 242.275 0.376 20 0 BCADRM C[C@@H]1CCN(C(=O)CNC(=O)[O-])[C@@H]1C ZINC000825937229 587346387 /nfs/dbraw/zinc/34/63/87/587346387.db2.gz HQHOOZLGIAOCMR-RNFRBKRXSA-N -1 0 200.238 0.511 20 0 BCADRM C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000825938231 587346448 /nfs/dbraw/zinc/34/64/48/587346448.db2.gz NSFHTHYGOAIBFX-KCJUWKMLSA-N -1 0 244.266 0.947 20 0 BCADRM C[C@@H]1CCN1C(=O)NC1CN(C(=O)[O-])C1 ZINC000825954730 587346998 /nfs/dbraw/zinc/34/69/98/587346998.db2.gz AGZKDPADVFSLBI-ZCFIWIBFSA-N -1 0 213.237 0.152 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCO[C@H](C)C1 ZINC000825970635 587347430 /nfs/dbraw/zinc/34/74/30/587347430.db2.gz WLXABTXLORWHRC-RKDXNWHRSA-N -1 0 244.291 0.480 20 0 BCADRM C[C@@H]1CN(C(=O)C2(NC(=O)[O-])CC2)CCCO1 ZINC000825969232 587347585 /nfs/dbraw/zinc/34/75/85/587347585.db2.gz NYRBJUYFFSNIOU-MRVPVSSYSA-N -1 0 242.275 0.424 20 0 BCADRM C[C@H]1CN(C(=O)CCNC(=O)[O-])C[C@H](C)S1 ZINC000825983808 587347652 /nfs/dbraw/zinc/34/76/52/587347652.db2.gz PEEVEZBZNBNKGR-YUMQZZPRSA-N -1 0 246.332 0.997 20 0 BCADRM C[C@H]1CN(C(=O)NCCNC(=O)[O-])C[C@@H]1C ZINC000826000030 587348156 /nfs/dbraw/zinc/34/81/56/587348156.db2.gz FBCILCWEDQGQOR-YUMQZZPRSA-N -1 0 229.280 0.551 20 0 BCADRM C[C@H]1CN(C(=O)[O-])CC[N@@H+]1CC1(C)COC1 ZINC000826025721 587348690 /nfs/dbraw/zinc/34/86/90/587348690.db2.gz CCXCVONDVRGJNI-VIFPVBQESA-N -1 0 228.292 0.707 20 0 BCADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NCCCF ZINC000826026681 587348720 /nfs/dbraw/zinc/34/87/20/587348720.db2.gz MYJQXXHPOFCMMW-QMMMGPOBSA-N -1 0 247.270 0.740 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000826035116 587349175 /nfs/dbraw/zinc/34/91/75/587349175.db2.gz PATJKQXAPOPJIK-BIIVOSGPSA-N -1 0 214.265 0.757 20 0 BCADRM C[C@H]1CN(S(=O)(=O)C2CC2)CCN1C(=O)[O-] ZINC000826067964 587350236 /nfs/dbraw/zinc/35/02/36/587350236.db2.gz MIZVOPROUKMXHE-ZETCQYMHSA-N -1 0 248.304 0.163 20 0 BCADRM C[C@@H]1COCCCN1C(=O)C1(NC(=O)[O-])CC1 ZINC000826086916 587350679 /nfs/dbraw/zinc/35/06/79/587350679.db2.gz DVIRQGDGYBWSRF-MRVPVSSYSA-N -1 0 242.275 0.424 20 0 BCADRM C[C@@H]1OCCN(C(=O)CCNC(=O)[O-])[C@H]1C ZINC000826134665 587351070 /nfs/dbraw/zinc/35/10/70/587351070.db2.gz YUMQJKJVCXCYDM-YUMQZZPRSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@H]1OCCN(C(=O)CCNC(=O)[O-])[C@H]1C ZINC000826134663 587351180 /nfs/dbraw/zinc/35/11/80/587351180.db2.gz YUMQJKJVCXCYDM-JGVFFNPUSA-N -1 0 230.264 0.280 20 0 BCADRM CC(C)(C)C(=O)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000826127363 587351335 /nfs/dbraw/zinc/35/13/35/587351335.db2.gz REKSLAXMKIWQTF-ZETCQYMHSA-N -1 0 227.260 0.581 20 0 BCADRM OC1(Cn2cnc(-c3nnn[n-]3)n2)CCCCC1 ZINC000826505847 587352966 /nfs/dbraw/zinc/35/29/66/587352966.db2.gz HDCLTFJAWMBJAQ-UHFFFAOYSA-N -1 0 249.278 0.153 20 0 BCADRM CCC(CC)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000826572125 587355320 /nfs/dbraw/zinc/35/53/20/587355320.db2.gz ROVYIFLRDIWGSS-BDAKNGLRSA-N -1 0 244.291 0.404 20 0 BCADRM CCC(CC)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000826572131 587355385 /nfs/dbraw/zinc/35/53/85/587355385.db2.gz ROVYIFLRDIWGSS-IUCAKERBSA-N -1 0 244.291 0.404 20 0 BCADRM CC[C@H](COC)NC(=O)C[C@H](C)NC(=O)[O-] ZINC000826586731 587355901 /nfs/dbraw/zinc/35/59/01/587355901.db2.gz GMSNFILHBCOKGA-JGVFFNPUSA-N -1 0 232.280 0.574 20 0 BCADRM CC(C)(CO)CNC(=O)CCSCC(=O)[O-] ZINC000826616486 587356483 /nfs/dbraw/zinc/35/64/83/587356483.db2.gz JFAXNWWSCQKJMG-UHFFFAOYSA-N -1 0 249.332 0.329 20 0 BCADRM CCC(O)(CC)CNC(=O)C1(NC(=O)[O-])CC1 ZINC000826619830 587356724 /nfs/dbraw/zinc/35/67/24/587356724.db2.gz NHAHLMQAMVSUKG-UHFFFAOYSA-N -1 0 244.291 0.454 20 0 BCADRM CC[C@H](O)CCCNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000826626039 587356910 /nfs/dbraw/zinc/35/69/10/587356910.db2.gz PGDUHURRQIXPTG-BDAKNGLRSA-N -1 0 246.307 0.700 20 0 BCADRM CC[C@H](O)CCCNC(=O)NCCNC(=O)[O-] ZINC000826626498 587356929 /nfs/dbraw/zinc/35/69/29/587356929.db2.gz WLWNOZJIQAESIE-QMMMGPOBSA-N -1 0 247.295 0.104 20 0 BCADRM CC[C@@H](O)CCCNC(=O)NCCNC(=O)[O-] ZINC000826626497 587356956 /nfs/dbraw/zinc/35/69/56/587356956.db2.gz WLWNOZJIQAESIE-MRVPVSSYSA-N -1 0 247.295 0.104 20 0 BCADRM CC[C@@H](O)CCCNC(=O)[C@@H](C)NC(=O)[O-] ZINC000826625275 587357004 /nfs/dbraw/zinc/35/70/04/587357004.db2.gz CKSUXVIQXOAPGM-HTQZYQBOSA-N -1 0 232.280 0.310 20 0 BCADRM CC[C@H](O)CCCNC(=O)C(C)(C)NC(=O)[O-] ZINC000826627029 587357255 /nfs/dbraw/zinc/35/72/55/587357255.db2.gz ZWEAXMKTEJQKGW-QMMMGPOBSA-N -1 0 246.307 0.700 20 0 BCADRM CC(C)C(=O)COC(=O)[C@@H](C)CC(=O)[O-] ZINC000826647328 587357729 /nfs/dbraw/zinc/35/77/29/587357729.db2.gz CXIVVBNJBNGLKA-ZETCQYMHSA-N -1 0 216.233 0.866 20 0 BCADRM CC[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)[O-])C2)O1 ZINC000826662566 587358446 /nfs/dbraw/zinc/35/84/46/587358446.db2.gz YTEPHSUDYBWVDF-RKDXNWHRSA-N -1 0 242.275 0.422 20 0 BCADRM CC(C)C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1 ZINC000826669642 587358603 /nfs/dbraw/zinc/35/86/03/587358603.db2.gz QHUIQNMLNIPOEF-ZETCQYMHSA-N -1 0 241.247 0.623 20 0 BCADRM CC(C)C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000826669881 587358628 /nfs/dbraw/zinc/35/86/28/587358628.db2.gz VPBOVWUQHCQFCP-UHFFFAOYSA-N -1 0 241.247 0.104 20 0 BCADRM CC[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)[O-])C1 ZINC000826675608 587358723 /nfs/dbraw/zinc/35/87/23/587358723.db2.gz NSFVSRLUWNRGBM-HTQZYQBOSA-N -1 0 214.265 0.901 20 0 BCADRM CC[C@@H]1CCN(C(=O)CCNC(=O)[O-])C1 ZINC000826674890 587358779 /nfs/dbraw/zinc/35/87/79/587358779.db2.gz CWNOFXLQBLQZEX-MRVPVSSYSA-N -1 0 214.265 0.903 20 0 BCADRM CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)[O-])CCS1 ZINC000826676475 587358920 /nfs/dbraw/zinc/35/89/20/587358920.db2.gz YFWQKDHRYGTWKE-HTQZYQBOSA-N -1 0 246.332 0.997 20 0 BCADRM CC[C@H]1CN(C(=O)CNC(=O)[O-])CCS1 ZINC000826682448 587359075 /nfs/dbraw/zinc/35/90/75/587359075.db2.gz MMAAUFIHZNAVDV-ZETCQYMHSA-N -1 0 232.305 0.608 20 0 BCADRM CC/C=C\COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826699551 587359396 /nfs/dbraw/zinc/35/93/96/587359396.db2.gz LXEJRFPXIPAANK-ZBJFTSOASA-N -1 0 243.259 0.875 20 0 BCADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CC(O)C1 ZINC000826714302 587359825 /nfs/dbraw/zinc/35/98/25/587359825.db2.gz ZADNDBGKYOVDLN-JTQLQIEISA-N -1 0 230.264 0.016 20 0 BCADRM CC(C)[C@@H](OC(=O)[C@H]1CCNC(=O)C1)C(=O)[O-] ZINC000826717790 587359964 /nfs/dbraw/zinc/35/99/64/587359964.db2.gz VNXQSDCWQHSVPL-IONNQARKSA-N -1 0 243.259 0.165 20 0 BCADRM CCC[C@@](C)(NC(=O)[O-])C(=O)OCCCO ZINC000826720749 587360127 /nfs/dbraw/zinc/36/01/27/587360127.db2.gz LRSYYZDUDJPPRR-SNVBAGLBSA-N -1 0 233.264 0.738 20 0 BCADRM CCC[C@H](CCO)CNC(=O)CNC(=O)[O-] ZINC000826736698 587360702 /nfs/dbraw/zinc/36/07/02/587360702.db2.gz VOBRGPDQMORKHK-MRVPVSSYSA-N -1 0 232.280 0.169 20 0 BCADRM CCC[C@](C)(O)CNC(=O)[C@H](CC)NC(=O)[O-] ZINC000826727713 587360208 /nfs/dbraw/zinc/36/02/08/587360208.db2.gz HDDAFUQBSMZOHT-KWQFWETISA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@](C)(O)CNC(=O)C1(NC(=O)[O-])CC1 ZINC000826726932 587360309 /nfs/dbraw/zinc/36/03/09/587360309.db2.gz AOTBHWHWPLHNPB-JTQLQIEISA-N -1 0 244.291 0.454 20 0 BCADRM CCC[C@@H](C)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826734775 587360398 /nfs/dbraw/zinc/36/03/98/587360398.db2.gz KXLAXGITDKZFLS-BDAKNGLRSA-N -1 0 244.291 0.670 20 0 BCADRM CCC[C@H](C)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000826733379 587360477 /nfs/dbraw/zinc/36/04/77/587360477.db2.gz BRAGUAUGMZWNDE-CIUDSAMLSA-N -1 0 244.291 0.404 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NC[C@H](O)C1CC1 ZINC000826750088 587361078 /nfs/dbraw/zinc/36/10/78/587361078.db2.gz GKKRMLFKONDMDR-BDAKNGLRSA-N -1 0 244.291 0.310 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)C(C)(C)O ZINC000826752581 587361099 /nfs/dbraw/zinc/36/10/99/587361099.db2.gz XLNCIEOMBFGJKS-JGVFFNPUSA-N -1 0 246.307 0.698 20 0 BCADRM CCC[C@H](O)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000826765191 587361566 /nfs/dbraw/zinc/36/15/66/587361566.db2.gz OARBZNDCXBKPEM-ZETCQYMHSA-N -1 0 232.280 0.310 20 0 BCADRM CCC[C@H](O)CNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826764583 587361622 /nfs/dbraw/zinc/36/16/22/587361622.db2.gz KETFPYBQAGQBLY-BDAKNGLRSA-N -1 0 244.291 0.264 20 0 BCADRM CCC[C@@H](O)CNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000826764241 587361669 /nfs/dbraw/zinc/36/16/69/587361669.db2.gz HVFBWUMOQCCFRT-HTQZYQBOSA-N -1 0 232.280 0.310 20 0 BCADRM CCCC[C@H](CNC(=O)[O-])NC(=O)NOC ZINC000826793830 587362718 /nfs/dbraw/zinc/36/27/18/587362718.db2.gz GDPAKJIYWFKFFM-SSDOTTSWSA-N -1 0 233.268 0.673 20 0 BCADRM CCCCC[C@@H](O)C(=O)[N-]OCCOC ZINC000826870619 587364459 /nfs/dbraw/zinc/36/44/59/587364459.db2.gz UYMAXPUHOCUQCN-SECBINFHSA-N -1 0 219.281 0.622 20 0 BCADRM CCCNC(=O)CC1CN(C(=O)[O-])C1 ZINC000826919770 587365687 /nfs/dbraw/zinc/36/56/87/587365687.db2.gz BPPHODLISHSZNG-UHFFFAOYSA-N -1 0 200.238 0.513 20 0 BCADRM CCCNC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000826926032 587365780 /nfs/dbraw/zinc/36/57/80/587365780.db2.gz PZSSSHMLHMZRNM-MRVPVSSYSA-N -1 0 229.280 0.838 20 0 BCADRM CC(C)N(CC(F)F)Cn1cnc(C(=O)[O-])n1 ZINC000826940100 587366207 /nfs/dbraw/zinc/36/62/07/587366207.db2.gz HAFLMNRFYOTVHG-UHFFFAOYSA-N -1 0 248.233 0.909 20 0 BCADRM CCCOCC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000826934973 587366244 /nfs/dbraw/zinc/36/62/44/587366244.db2.gz JLNWZSUVCJVCHT-VIFPVBQESA-N -1 0 244.291 0.624 20 0 BCADRM CCN(C)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826983308 587366996 /nfs/dbraw/zinc/36/69/96/587366996.db2.gz LGFBGADQLRTWHB-YUMQZZPRSA-N -1 0 214.265 0.901 20 0 BCADRM CC(C)NC(=O)CN(C)C(=O)[C@H](C)CC(=O)[O-] ZINC000826971272 587366985 /nfs/dbraw/zinc/36/69/85/587366985.db2.gz JRFIENNIQPHYHP-MRVPVSSYSA-N -1 0 244.291 0.080 20 0 BCADRM CCN(C(=O)NC1CN(C(=O)[O-])C1)C(C)C ZINC000826980470 587367009 /nfs/dbraw/zinc/36/70/09/587367009.db2.gz VZTHHVMSTOHREH-UHFFFAOYSA-N -1 0 229.280 0.789 20 0 BCADRM CC(C)NC(=O)COC(=O)[C@H](C)CC(=O)[O-] ZINC000826971568 587367065 /nfs/dbraw/zinc/36/70/65/587367065.db2.gz LCPRPGFPXQQKBG-SSDOTTSWSA-N -1 0 231.248 0.165 20 0 BCADRM CC(C)NC(=S)N1CC[C@](F)(C(=O)[O-])C1 ZINC000826980613 587367092 /nfs/dbraw/zinc/36/70/92/587367092.db2.gz SEWACSFYYJSHHA-SECBINFHSA-N -1 0 234.296 0.768 20 0 BCADRM CCN(C(=O)[C@H](C)SC)C1CN(C(=O)[O-])C1 ZINC000826971853 587367157 /nfs/dbraw/zinc/36/71/57/587367157.db2.gz ZVJQZTJMRVXGSU-ZETCQYMHSA-N -1 0 246.332 0.949 20 0 BCADRM CCN(CC(=O)N(C)CC[C@@H](C)O)C(=O)[O-] ZINC000826996636 587367255 /nfs/dbraw/zinc/36/72/55/587367255.db2.gz FZZGHVKOANMCDM-MRVPVSSYSA-N -1 0 232.280 0.216 20 0 BCADRM CCN(CC(=O)NC(C)(C)CCOC)C(=O)[O-] ZINC000827002918 587367705 /nfs/dbraw/zinc/36/77/05/587367705.db2.gz WUNVYXQARASHTE-UHFFFAOYSA-N -1 0 246.307 0.918 20 0 BCADRM CCN(CC(=O)NCCCF)C(=O)[O-] ZINC000827002850 587367837 /nfs/dbraw/zinc/36/78/37/587367837.db2.gz UVSUIAYMEHTVEC-UHFFFAOYSA-N -1 0 206.217 0.462 20 0 BCADRM CCN(CC(=O)OC)C(=O)C[C@@H](C)NC(=O)[O-] ZINC000827014686 587368015 /nfs/dbraw/zinc/36/80/15/587368015.db2.gz PVAQOEWLIGBFHD-SSDOTTSWSA-N -1 0 246.263 0.054 20 0 BCADRM CCN(CC(C)(C)O)C(=O)C1(NC(=O)[O-])CC1 ZINC000827020386 587368050 /nfs/dbraw/zinc/36/80/50/587368050.db2.gz SILBCPXVMISREH-UHFFFAOYSA-N -1 0 244.291 0.406 20 0 BCADRM CCN(CC)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827024067 587368464 /nfs/dbraw/zinc/36/84/64/587368464.db2.gz DMQJGTDOVLMMJD-VIFPVBQESA-N -1 0 244.291 0.624 20 0 BCADRM CCN(CCNc1cccnn1)C(=O)[O-] ZINC000827150611 587371274 /nfs/dbraw/zinc/37/12/74/587371274.db2.gz KAPLLSIOEIHNLH-UHFFFAOYSA-N -1 0 210.237 0.888 20 0 BCADRM CCN(CCOC)C(=O)C[C@H](C)NC(=O)[O-] ZINC000827156235 587371661 /nfs/dbraw/zinc/37/16/61/587371661.db2.gz DBGHEIBPDKAXGO-QMMMGPOBSA-N -1 0 232.280 0.528 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CCCOC[C@H]1C ZINC000827256306 587373374 /nfs/dbraw/zinc/37/33/74/587373374.db2.gz IQPDAMULPGXMAI-RKDXNWHRSA-N -1 0 229.276 0.735 20 0 BCADRM CCN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827227125 587373469 /nfs/dbraw/zinc/37/34/69/587373469.db2.gz CLHIJZDESBSGKF-SFYZADRCSA-N -1 0 202.254 0.363 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N(C)C[C@@H]1CCOC1 ZINC000827240453 587373662 /nfs/dbraw/zinc/37/36/62/587373662.db2.gz KOWBBJCFXRMQIY-BDAKNGLRSA-N -1 0 229.276 0.592 20 0 BCADRM CCNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827242064 587373695 /nfs/dbraw/zinc/37/36/95/587373695.db2.gz IHYNJYGRNHPUDB-VIFPVBQESA-N -1 0 241.291 0.933 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC(C)(O)CC1 ZINC000827247097 587373813 /nfs/dbraw/zinc/37/38/13/587373813.db2.gz IYDBQQIZMOXURK-QMMMGPOBSA-N -1 0 229.276 0.471 20 0 BCADRM CCNC(=O)N[C@H](CNC(=O)[O-])CC(C)C ZINC000827248427 587373853 /nfs/dbraw/zinc/37/38/53/587373853.db2.gz AQAHBXGPTAOGPK-QMMMGPOBSA-N -1 0 231.296 0.988 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)N(C)Cc1ccon1 ZINC000827248126 587373860 /nfs/dbraw/zinc/37/38/60/587373860.db2.gz UKYKJNFPQMMYEI-ZETCQYMHSA-N -1 0 226.232 0.744 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000827246839 587373941 /nfs/dbraw/zinc/37/39/41/587373941.db2.gz FXSFRJMXJZAFAL-XHNCKOQMSA-N -1 0 227.260 0.487 20 0 BCADRM CCNC(=O)NC(C)(C)CNC(=O)[O-] ZINC000827248559 587374082 /nfs/dbraw/zinc/37/40/82/587374082.db2.gz DROUBADBADUQFY-UHFFFAOYSA-N -1 0 203.242 0.352 20 0 BCADRM CCNC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000827251364 587374112 /nfs/dbraw/zinc/37/41/12/587374112.db2.gz YTPZLYAECHSMNA-JGVFFNPUSA-N -1 0 229.280 0.836 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CCCOC[C@@H]1C ZINC000827256301 587374283 /nfs/dbraw/zinc/37/42/83/587374283.db2.gz IQPDAMULPGXMAI-BDAKNGLRSA-N -1 0 229.276 0.735 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)N1CCCn2nccc21 ZINC000827257802 587374365 /nfs/dbraw/zinc/37/43/65/587374365.db2.gz SNKUDCQBBRICBR-QMMMGPOBSA-N -1 0 237.259 0.731 20 0 BCADRM CC(C)[C@H](CCO)NC(=O)[C@H](C)CC(=O)[O-] ZINC000827270640 587374640 /nfs/dbraw/zinc/37/46/40/587374640.db2.gz BUEJILLKOBIHDC-BDAKNGLRSA-N -1 0 231.292 0.620 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NC1(C(N)=O)CCCC1 ZINC000827272558 587374727 /nfs/dbraw/zinc/37/47/27/587374727.db2.gz OKXQDAKRIMARAK-SSDOTTSWSA-N -1 0 242.275 0.012 20 0 BCADRM CCNC(=S)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000827265455 587374804 /nfs/dbraw/zinc/37/48/04/587374804.db2.gz KGTSSAQJNQPFHL-QMMMGPOBSA-N -1 0 245.348 0.955 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NC1(CC(N)=O)CCC1 ZINC000827274744 587374876 /nfs/dbraw/zinc/37/48/76/587374876.db2.gz YFXCGVIKYSCWLG-SSDOTTSWSA-N -1 0 242.275 0.012 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1cnn(C)c1 ZINC000827274231 587374888 /nfs/dbraw/zinc/37/48/88/587374888.db2.gz WKXUVBMJGDQOMJ-HTQZYQBOSA-N -1 0 239.275 0.708 20 0 BCADRM CC(C)[C@@](C)(O)CNC(=O)[C@H](C)CC(=O)[O-] ZINC000827282129 587375060 /nfs/dbraw/zinc/37/50/60/587375060.db2.gz QNEAEQZLVXDMQP-KCJUWKMLSA-N -1 0 231.292 0.620 20 0 BCADRM CCOC(=O)[C@@H](C)OC(=O)C1(NC(=O)[O-])CC1 ZINC000827283222 587375069 /nfs/dbraw/zinc/37/50/69/587375069.db2.gz KIYWQHXJOYTKCZ-ZCFIWIBFSA-N -1 0 245.231 0.281 20 0 BCADRM CC(C)[C@](C)(O)CNC(=O)[C@@H](C)CC(=O)[O-] ZINC000827282127 587375299 /nfs/dbraw/zinc/37/52/99/587375299.db2.gz QNEAEQZLVXDMQP-GZMMTYOYSA-N -1 0 231.292 0.620 20 0 BCADRM CC(C)[C@H](O)CNC(=O)[C@H](C)CC(=O)[O-] ZINC000827283462 587375319 /nfs/dbraw/zinc/37/53/19/587375319.db2.gz WAWYNJKXUOSENQ-HTQZYQBOSA-N -1 0 217.265 0.230 20 0 BCADRM CCOC(=O)[C@H](C)N(C)C(=O)CCNC(=O)[O-] ZINC000827285324 587375366 /nfs/dbraw/zinc/37/53/66/587375366.db2.gz WMWKWQIVBHMXSY-ZETCQYMHSA-N -1 0 246.263 0.054 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NCCCC(=O)N(C)C ZINC000827291374 587375391 /nfs/dbraw/zinc/37/53/91/587375391.db2.gz KAWHFPWZFFTEEI-MRVPVSSYSA-N -1 0 244.291 0.082 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)NCCc1cnn(C)c1 ZINC000827295209 587375596 /nfs/dbraw/zinc/37/55/96/587375596.db2.gz GRURQMKCCFHIRN-QMMMGPOBSA-N -1 0 239.275 0.190 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)NCCn1ccnc1 ZINC000827295233 587375736 /nfs/dbraw/zinc/37/57/36/587375736.db2.gz HISADGHXNCNUAM-QMMMGPOBSA-N -1 0 225.248 0.110 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)NCCn1cccc1 ZINC000827295651 587376063 /nfs/dbraw/zinc/37/60/63/587376063.db2.gz NCVKFKGBFZUWSD-VIFPVBQESA-N -1 0 224.260 0.715 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NCCn1cccc1 ZINC000827295650 587376094 /nfs/dbraw/zinc/37/60/94/587376094.db2.gz NCVKFKGBFZUWSD-SECBINFHSA-N -1 0 224.260 0.715 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)NCc1ccnn1C ZINC000827296961 587376183 /nfs/dbraw/zinc/37/61/83/587376183.db2.gz WSADKHJKDFMOAL-ZETCQYMHSA-N -1 0 225.248 0.147 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)NOCC(F)(F)F ZINC000827304461 587376392 /nfs/dbraw/zinc/37/63/92/587376392.db2.gz VLAZEASTQXLVFR-BYPYZUCNSA-N -1 0 229.154 0.707 20 0 BCADRM CCOC(=O)COC(=O)C(C)(C)CNC(=O)[O-] ZINC000827312742 587376699 /nfs/dbraw/zinc/37/66/99/587376699.db2.gz IOGNPBDPEXJADZ-UHFFFAOYSA-N -1 0 247.247 0.387 20 0 BCADRM CCOC(=O)COC(=O)CC1CN(C(=O)[O-])C1 ZINC000827313066 587376710 /nfs/dbraw/zinc/37/67/10/587376710.db2.gz LQZJEEUCMNMBOE-UHFFFAOYSA-N -1 0 245.231 0.093 20 0 BCADRM CCOC(=O)CN(CCNC(=O)[O-])C(C)C ZINC000827313476 587376711 /nfs/dbraw/zinc/37/67/11/587376711.db2.gz PQWOZXRYLCCNKC-UHFFFAOYSA-N -1 0 232.280 0.528 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)Nc1cccn(C)c1=O ZINC000827316753 587376856 /nfs/dbraw/zinc/37/68/56/587376856.db2.gz DMDRIKSRBZBMTM-SSDOTTSWSA-N -1 0 238.243 0.435 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H]1CCCOC1 ZINC000827332556 587377153 /nfs/dbraw/zinc/37/71/53/587377153.db2.gz DAUNEALQYBSZNG-JGVFFNPUSA-N -1 0 216.233 0.819 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)OCc1ccno1 ZINC000827349719 587377862 /nfs/dbraw/zinc/37/78/62/587377862.db2.gz SLWWWGLAQSWJMC-LURJTMIESA-N -1 0 213.189 0.829 20 0 BCADRM CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[O-])C1 ZINC000827362073 587378688 /nfs/dbraw/zinc/37/86/88/587378688.db2.gz MUEPPPFVRFRQNK-MRVPVSSYSA-N -1 0 244.291 0.622 20 0 BCADRM CCOCC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000827387371 587379185 /nfs/dbraw/zinc/37/91/85/587379185.db2.gz AHSDEMZOYBMORK-MRVPVSSYSA-N -1 0 230.264 0.282 20 0 BCADRM CCOC[C@@H]1CCN(C(=O)CCNC(=O)[O-])C1 ZINC000827387575 587379239 /nfs/dbraw/zinc/37/92/39/587379239.db2.gz DQPOPTQJCVZYNU-SECBINFHSA-N -1 0 244.291 0.529 20 0 BCADRM CCOCC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827390473 587379247 /nfs/dbraw/zinc/37/92/47/587379247.db2.gz ZZOGTDCZBFMTQQ-QMMMGPOBSA-N -1 0 230.264 0.234 20 0 BCADRM CCO[C@@H]1C[C@H]1C(=O)OC[C@H](C)NC(=O)[O-] ZINC000827390283 587379396 /nfs/dbraw/zinc/37/93/96/587379396.db2.gz YNMPZYUKVHYWGZ-XLPZGREQSA-N -1 0 231.248 0.611 20 0 BCADRM CCO[C@@H]1C[C@@H]1C(=O)NCC(C)(C)NC(=O)[O-] ZINC000827389154 587379402 /nfs/dbraw/zinc/37/94/02/587379402.db2.gz QZVHJIACYKGNIW-JGVFFNPUSA-N -1 0 244.291 0.574 20 0 BCADRM CCO[C@@H]1C[C@H]1C(=O)OC[C@@H](C)NC(=O)[O-] ZINC000827390280 587379485 /nfs/dbraw/zinc/37/94/85/587379485.db2.gz YNMPZYUKVHYWGZ-BWZBUEFSSA-N -1 0 231.248 0.611 20 0 BCADRM CCOCCCNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000827399496 587379631 /nfs/dbraw/zinc/37/96/31/587379631.db2.gz IEBYNPOGSNCWRT-MRVPVSSYSA-N -1 0 232.280 0.575 20 0 BCADRM CCOCCNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000827399649 587379671 /nfs/dbraw/zinc/37/96/71/587379671.db2.gz LVMRWVLFWSHADE-SECBINFHSA-N -1 0 244.291 0.672 20 0 BCADRM CCOCCN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827399792 587379878 /nfs/dbraw/zinc/37/98/78/587379878.db2.gz PPSIGGMWUVHFKR-VHSXEESVSA-N -1 0 246.307 0.380 20 0 BCADRM CCOCCCNC(=O)NC1CN(C(=O)[O-])C1 ZINC000827399746 587379897 /nfs/dbraw/zinc/37/98/97/587379897.db2.gz OLHXOUNYXFDASV-UHFFFAOYSA-N -1 0 245.279 0.074 20 0 BCADRM CCOCCNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000827399772 587379903 /nfs/dbraw/zinc/37/99/03/587379903.db2.gz PGMVNWMPALFYFX-UHFFFAOYSA-N -1 0 244.291 0.529 20 0 BCADRM CCOCCN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827399791 587379904 /nfs/dbraw/zinc/37/99/04/587379904.db2.gz PPSIGGMWUVHFKR-UWVGGRQHSA-N -1 0 246.307 0.380 20 0 BCADRM CCONC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000827408692 587380243 /nfs/dbraw/zinc/38/02/43/587380243.db2.gz JUVSFZGBXHBMCS-ZETCQYMHSA-N -1 0 248.304 0.540 20 0 BCADRM CCONC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827409341 587380349 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ZINC000828895972 587469429 /nfs/dbraw/zinc/46/94/29/587469429.db2.gz FGZALRNIWFVNNF-HTQZYQBOSA-N -1 0 233.264 0.858 20 0 BCADRM COC[C@@H](C)CC(=O)OC[C@@H](C)NC(=O)[O-] ZINC000828895973 587469575 /nfs/dbraw/zinc/46/95/75/587469575.db2.gz FGZALRNIWFVNNF-JGVFFNPUSA-N -1 0 233.264 0.858 20 0 BCADRM COC[C@@H](C)CC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000828895931 587469592 /nfs/dbraw/zinc/46/95/92/587469592.db2.gz DWXPXEBUSKOMBU-DTWKUNHWSA-N -1 0 244.291 0.528 20 0 BCADRM COC[C@H](C)CC(=O)NCCCNC(=O)[O-] ZINC000828895916 587469717 /nfs/dbraw/zinc/46/97/17/587469717.db2.gz DPUGFLMJEBXICK-MRVPVSSYSA-N -1 0 232.280 0.433 20 0 BCADRM COC[C@@H](C)CC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000828895932 587469719 /nfs/dbraw/zinc/46/97/19/587469719.db2.gz DWXPXEBUSKOMBU-IUCAKERBSA-N -1 0 244.291 0.528 20 0 BCADRM COC[C@@H](C)CC(=O)NCCN(C)C(=O)[O-] ZINC000828897074 587469768 /nfs/dbraw/zinc/46/97/68/587469768.db2.gz ONRUXDANIRXDON-QMMMGPOBSA-N -1 0 232.280 0.385 20 0 BCADRM COC[C@@H](C)NC(=O)NCC(C)(C)NC(=O)[O-] ZINC000828903023 587470377 /nfs/dbraw/zinc/47/03/77/587470377.db2.gz JZFJKMCWJRMYIM-SSDOTTSWSA-N -1 0 247.295 0.367 20 0 BCADRM COC[C@@H](C)OC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828903877 587470555 /nfs/dbraw/zinc/47/05/55/587470555.db2.gz QOXWSNOXMONZLE-XCBNKYQSSA-N -1 0 249.238 0.657 20 0 BCADRM COC[C@@H](C)OC(=O)C1(NC(=O)[O-])CC1 ZINC000828903656 587470665 /nfs/dbraw/zinc/47/06/65/587470665.db2.gz PCJUKQARWWVANL-ZCFIWIBFSA-N -1 0 217.221 0.365 20 0 BCADRM COC[C@H](C)NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000828904926 587470747 /nfs/dbraw/zinc/47/07/47/587470747.db2.gz YNTFCZAKJGAQDT-RQJHMYQMSA-N -1 0 218.253 0.184 20 0 BCADRM COC[C@@H](NC(=O)C1(NC(=O)[O-])CC1)C(C)C ZINC000828913711 587471705 /nfs/dbraw/zinc/47/17/05/587471705.db2.gz TUFBFKAQONRSAF-MRVPVSSYSA-N -1 0 244.291 0.574 20 0 BCADRM COC[C@@H]1CCCN1C(=O)C[C@@H](C)NC(=O)[O-] ZINC000828920630 587471962 /nfs/dbraw/zinc/47/19/62/587471962.db2.gz PZNBOTXCSODSJY-BDAKNGLRSA-N -1 0 244.291 0.670 20 0 BCADRM 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COCCNC(=S)NCC(C)(C)NC(=O)[O-] ZINC000828996871 587478686 /nfs/dbraw/zinc/47/86/86/587478686.db2.gz YLGDOFBKTKRSIO-UHFFFAOYSA-N -1 0 249.336 0.143 20 0 BCADRM COCCONC(=O)CC(C)(C)NC(=O)[O-] ZINC000829007579 587479244 /nfs/dbraw/zinc/47/92/44/587479244.db2.gz KVVDQZPLKRNPEO-UHFFFAOYSA-N -1 0 234.252 0.117 20 0 BCADRM CCC1(C(=O)N[C@@](C)(COC)C(=O)[O-])COC1 ZINC000829033731 587480177 /nfs/dbraw/zinc/48/01/77/587480177.db2.gz VIHCKWHWCAQZEX-JTQLQIEISA-N -1 0 245.275 0.019 20 0 BCADRM CCC1(C(=O)OCC(=O)NCCC(=O)[O-])CC1 ZINC000829038941 587480273 /nfs/dbraw/zinc/48/02/73/587480273.db2.gz IHCCMEWWPRGYIR-UHFFFAOYSA-N -1 0 243.259 0.311 20 0 BCADRM CO[C@@H]1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000829062074 587481026 /nfs/dbraw/zinc/48/10/26/587481026.db2.gz WWFDUVKCEZDIJR-DTWKUNHWSA-N -1 0 242.275 0.234 20 0 BCADRM CO[C@@H]1CCN(C(=O)C2(NC(=O)[O-])CC2)C1 ZINC000829062189 587481076 /nfs/dbraw/zinc/48/10/76/587481076.db2.gz ZQVAAABQHCCRJB-SSDOTTSWSA-N -1 0 228.248 0.034 20 0 BCADRM CO[C@@H]1CCN(C(=O)C(C)(C)NC(=O)[O-])C1 ZINC000829060639 587481109 /nfs/dbraw/zinc/48/11/09/587481109.db2.gz AUPYQSYWZJSMQY-SSDOTTSWSA-N -1 0 230.264 0.280 20 0 BCADRM CONC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000829061588 587481115 /nfs/dbraw/zinc/48/11/15/587481115.db2.gz PGEOXHJPHRDPMS-LURJTMIESA-N -1 0 234.277 0.150 20 0 BCADRM CCC1(COC(=O)[C@@H]2C[C@H]2C(=O)[O-])COC1 ZINC000829065507 587481609 /nfs/dbraw/zinc/48/16/09/587481609.db2.gz MTUWSRYULWDIJF-HTQZYQBOSA-N -1 0 228.244 0.677 20 0 BCADRM CCC1(COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])COC1 ZINC000829065508 587481630 /nfs/dbraw/zinc/48/16/30/587481630.db2.gz MTUWSRYULWDIJF-JGVFFNPUSA-N -1 0 228.244 0.677 20 0 BCADRM CCC1(O)CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000829069860 587481691 /nfs/dbraw/zinc/48/16/91/587481691.db2.gz UPLNMSMZOFGUME-VIFPVBQESA-N -1 0 243.303 0.861 20 0 BCADRM CC[C@@H]1COCCN1C(=O)[C@H](C)CC(=O)[O-] ZINC000829169580 587486052 /nfs/dbraw/zinc/48/60/52/587486052.db2.gz GAQYQQZCYMXRGZ-RKDXNWHRSA-N -1 0 229.276 0.735 20 0 BCADRM 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ZINC000833396113 587713435 /nfs/dbraw/zinc/71/34/35/587713435.db2.gz FNWVHWSBWHHQLC-SSDOTTSWSA-N -1 0 246.263 0.102 20 0 BCADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CO)c1ccccc1 ZINC000833410978 587713567 /nfs/dbraw/zinc/71/35/67/587713567.db2.gz KBAZNPSNVCHBGV-KCJUWKMLSA-N -1 0 237.255 0.557 20 0 BCADRM CC(C)(C)C(=O)CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000833418451 587713855 /nfs/dbraw/zinc/71/38/55/587713855.db2.gz HRPMHZKYQOVFOJ-RQJHMYQMSA-N -1 0 227.260 0.439 20 0 BCADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CO)C1 ZINC000833413576 587713953 /nfs/dbraw/zinc/71/39/53/587713953.db2.gz DICBTMGCUBNHCB-MRVPVSSYSA-N -1 0 229.276 0.328 20 0 BCADRM CC(C)(C)[C@@H](NC(=O)CCCCO)C(=O)[O-] ZINC000833422740 587714058 /nfs/dbraw/zinc/71/40/58/587714058.db2.gz IHEUDCOZESUTMI-VIFPVBQESA-N -1 0 231.292 0.765 20 0 BCADRM CC(C)(C)C[C@H](SC[C@@H](O)CO)C(=O)[O-] ZINC000833428944 587714321 /nfs/dbraw/zinc/71/43/21/587714321.db2.gz CTDVVPCPYYZXGA-YUMQZZPRSA-N -1 0 236.333 0.962 20 0 BCADRM CC(C)(C)[C@@H](O)C(=O)NCC(C)(C)C(=O)[O-] ZINC000833458405 587715306 /nfs/dbraw/zinc/71/53/06/587715306.db2.gz SAKOIFKPQOLDOF-ZETCQYMHSA-N -1 0 231.292 0.620 20 0 BCADRM CC(C)(CNC(=O)[C@@]1(O)CCSC1)C(=O)[O-] ZINC000833458435 587715500 /nfs/dbraw/zinc/71/55/00/587715500.db2.gz SYHSMLWIFVYFNL-SNVBAGLBSA-N -1 0 247.316 0.081 20 0 BCADRM CC(C)(F)C(=O)NC1CN(C(=O)[O-])C1 ZINC000833459932 587715672 /nfs/dbraw/zinc/71/56/72/587715672.db2.gz MLXQENMGNOTRRD-UHFFFAOYSA-N -1 0 204.201 0.213 20 0 BCADRM CC(C)=CC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833462413 587715752 /nfs/dbraw/zinc/71/57/52/587715752.db2.gz AHFSULQTBPBBJB-NSHDSACASA-N -1 0 241.287 0.637 20 0 BCADRM CC(C)(F)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833459845 587715754 /nfs/dbraw/zinc/71/57/54/587715754.db2.gz JNBVPTCGWGDVAE-SSDOTTSWSA-N -1 0 232.255 0.993 20 0 BCADRM CC(C)(F)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833460245 587715842 /nfs/dbraw/zinc/71/58/42/587715842.db2.gz WUOIJEUIZCZHKO-MRVPVSSYSA-N -1 0 247.266 0.419 20 0 BCADRM CC(C)(NC(=O)C1SCCS1)C(=O)[O-] ZINC000833459930 587715923 /nfs/dbraw/zinc/71/59/23/587715923.db2.gz MLUSJGWBBFATGC-UHFFFAOYSA-N -1 0 235.330 0.772 20 0 BCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccno1 ZINC000833467334 587716392 /nfs/dbraw/zinc/71/63/92/587716392.db2.gz DJNCVLFOSHWBEF-MRVPVSSYSA-N -1 0 241.247 0.583 20 0 BCADRM CC(C)C[C@@H](CO)NC(=O)C(C)(C)NC(=O)[O-] ZINC000833477692 587716521 /nfs/dbraw/zinc/71/65/21/587716521.db2.gz MJCXTVROYHWVSA-QMMMGPOBSA-N -1 0 246.307 0.556 20 0 BCADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NC[C@H](C)O ZINC000833477962 587716581 /nfs/dbraw/zinc/71/65/81/587716581.db2.gz BLWOEUVPHADQKZ-JGVFFNPUSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)C[C@H](CO)NC(=O)CCCNC(=O)[O-] ZINC000833477842 587716587 /nfs/dbraw/zinc/71/65/87/587716587.db2.gz QMLPCCMBGOKXRF-SECBINFHSA-N -1 0 246.307 0.557 20 0 BCADRM CC(C)C[C@@H](CO)NC(=O)CN(C)C(=O)[O-] ZINC000833477704 587716632 /nfs/dbraw/zinc/71/66/32/587716632.db2.gz NOJYOJOXFCCQFF-QMMMGPOBSA-N -1 0 232.280 0.119 20 0 BCADRM CC(C)C[C@@H](CO)NC(=O)CCCNC(=O)[O-] ZINC000833477844 587716730 /nfs/dbraw/zinc/71/67/30/587716730.db2.gz QMLPCCMBGOKXRF-VIFPVBQESA-N -1 0 246.307 0.557 20 0 BCADRM CC(C)COC(=O)CNC(C)(C)C(=O)[O-] ZINC000833490056 587717044 /nfs/dbraw/zinc/71/70/44/587717044.db2.gz WHYBXHPZFSWKQT-UHFFFAOYSA-N -1 0 217.265 0.638 20 0 BCADRM CC(C)CCOCCNC(=O)[C@H](C)NC(=O)[O-] ZINC000833484496 587717077 /nfs/dbraw/zinc/71/70/77/587717077.db2.gz RIZIQVKWFKWUAH-VIFPVBQESA-N -1 0 246.307 0.821 20 0 BCADRM CC(C)N(CC(N)=O)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833496820 587717625 /nfs/dbraw/zinc/71/76/25/587717625.db2.gz SAWZZERAZYYNLU-UHFFFAOYSA-N -1 0 239.275 0.409 20 0 BCADRM C[C@H](C[C@H](C)O)NC(=O)CCSCC(=O)[O-] ZINC000833526027 587717733 /nfs/dbraw/zinc/71/77/33/587717733.db2.gz AWGRLPFSBGXVOF-SFYZADRCSA-N -1 0 249.332 0.470 20 0 BCADRM CC(C)OCCCCNC(=O)[C@H](C)NC(=O)[O-] ZINC000833503888 587717924 /nfs/dbraw/zinc/71/79/24/587717924.db2.gz RNCPDQBAULSUFQ-VIFPVBQESA-N -1 0 246.307 0.964 20 0 BCADRM 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ZINC000080040709 360405692 /nfs/dbraw/zinc/40/56/92/360405692.db2.gz KHXKQRVZBDCVQP-LLVKDONJSA-N -1 0 237.259 0.655 20 0 BCADRM C[C@H]1CC[C@H](NC(=O)CCc2nnn[n-]2)CC1 ZINC000631162633 360630267 /nfs/dbraw/zinc/63/02/67/360630267.db2.gz YTJNUVOENWJUGY-KYZUINATSA-N -1 0 237.307 0.827 20 0 BCADRM NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000037518034 181305046 /nfs/dbraw/zinc/30/50/46/181305046.db2.gz RHPADPRZKCJXCF-DTWKUNHWSA-N -1 0 248.238 0.445 20 0 BCADRM Cn1[n-]c(C(=O)NCCCCCO)cc1=O ZINC000614211376 363746387 /nfs/dbraw/zinc/74/63/87/363746387.db2.gz MEUDUZZTZAMGGT-UHFFFAOYSA-N -1 0 227.264 0.018 20 0 BCADRM CCS(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000629307386 360991690 /nfs/dbraw/zinc/99/16/90/360991690.db2.gz WFMHFYCMLVHPDG-RXMQYKEDSA-N -1 0 243.231 0.130 20 0 BCADRM CC(C)C1(S(=O)(=O)N2CC[C@H]2C(=O)[O-])CC1 ZINC000629300062 360991771 /nfs/dbraw/zinc/99/17/71/360991771.db2.gz AINPPGMXIZFQAX-QMMMGPOBSA-N -1 0 247.316 0.664 20 0 BCADRM CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000629342683 360997151 /nfs/dbraw/zinc/99/71/51/360997151.db2.gz DQECKKJJDONRLQ-HRDYMLBCSA-N -1 0 247.316 0.521 20 0 BCADRM Cc1ncc(S(=O)(=O)[N-]c2cnoc2)n1C ZINC000629288303 360989003 /nfs/dbraw/zinc/98/90/03/360989003.db2.gz FSOVVUGIDWALHE-UHFFFAOYSA-N -1 0 242.260 0.517 20 0 BCADRM CC(C)C1(S(=O)(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000629293608 360990599 /nfs/dbraw/zinc/99/05/99/360990599.db2.gz MAOLHZUHJGHSEQ-SSDOTTSWSA-N -1 0 235.305 0.568 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)c1cncc2ncnn21 ZINC000629384217 361031905 /nfs/dbraw/zinc/03/19/05/361031905.db2.gz RFSADQNAXXSVIA-LURJTMIESA-N -1 0 221.220 0.034 20 0 BCADRM O=C([O-])[C@H]1CN(c2ccc(F)cn2)CCO1 ZINC000629381241 361028785 /nfs/dbraw/zinc/02/87/85/361028785.db2.gz FYCATOZZLCNHJM-MRVPVSSYSA-N -1 0 226.207 0.511 20 0 BCADRM CC(C)C[C@H](C(=O)[O-])N(C)CC(=O)NC(C)C ZINC000629484548 361090236 /nfs/dbraw/zinc/09/02/36/361090236.db2.gz UGZGVTCZVFSKDK-SNVBAGLBSA-N -1 0 244.335 0.942 20 0 BCADRM CC[C@@H](C(=O)[O-])N(C)Cc1cncc(OC)n1 ZINC000629489581 361095162 /nfs/dbraw/zinc/09/51/62/361095162.db2.gz JASJWRMCLFBRQR-VIFPVBQESA-N -1 0 239.275 0.780 20 0 BCADRM C[C@@H]1[C@H](C(F)(F)F)OCCN1CC(=O)[O-] ZINC000629502339 361102330 /nfs/dbraw/zinc/10/23/30/361102330.db2.gz XETVXWLSWOQPRG-IYSWYEEDSA-N -1 0 227.182 0.723 20 0 BCADRM O=C(NC1COC1)c1cc(F)c([O-])c(F)c1 ZINC000634258654 361130463 /nfs/dbraw/zinc/13/04/63/361130463.db2.gz VLWYGQOJOFMSBK-UHFFFAOYSA-N -1 0 229.182 0.799 20 0 BCADRM CC(C)C[C@H](CNC(=O)N[C@H](C)CO)C(=O)[O-] ZINC000424403490 200926698 /nfs/dbraw/zinc/92/66/98/200926698.db2.gz BACBKYOXVQUJOU-RKDXNWHRSA-N -1 0 246.307 0.413 20 0 BCADRM CCC(CC)(CNC(=O)N[C@@H](C)CO)C(=O)[O-] ZINC000424401692 200926931 /nfs/dbraw/zinc/92/69/31/200926931.db2.gz BATQDFKRSQGMMN-QMMMGPOBSA-N -1 0 246.307 0.557 20 0 BCADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1CCC(=O)[O-] ZINC000306614877 361164609 /nfs/dbraw/zinc/16/46/09/361164609.db2.gz MIHTXOLLJBIJMI-KXEKKFMESA-N -1 0 219.306 0.302 20 0 BCADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1CCC(=O)[O-] ZINC000306614879 361164802 /nfs/dbraw/zinc/16/48/02/361164802.db2.gz MIHTXOLLJBIJMI-WFEFGEHDSA-N -1 0 219.306 0.302 20 0 BCADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)C(=O)[O-] ZINC000309705785 491155448 /nfs/dbraw/zinc/15/54/48/491155448.db2.gz VGCDJDDXQIUPII-SKDRFNHKSA-N -1 0 219.240 0.917 20 0 BCADRM Cc1ccc(C(=O)N(C)Cc2nc(=O)o[n-]2)cc1 ZINC000640449644 361225465 /nfs/dbraw/zinc/22/54/65/361225465.db2.gz CJNBNZIOYNONAH-UHFFFAOYSA-N -1 0 247.254 0.944 20 0 BCADRM Cc1cccc(C(=O)N(C)Cc2nc(=O)o[n-]2)c1 ZINC000640451996 361226606 /nfs/dbraw/zinc/22/66/06/361226606.db2.gz SOBMHBFOTHFOOD-UHFFFAOYSA-N -1 0 247.254 0.944 20 0 BCADRM C[C@@H](C(=O)N(C)Cc1nc(=O)o[n-]1)C1CCC1 ZINC000640453639 361228332 /nfs/dbraw/zinc/22/83/32/361228332.db2.gz CWXSUPLJBWGBPV-SSDOTTSWSA-N -1 0 239.275 0.758 20 0 BCADRM CC(C)OCCNC(=O)NCCC(=O)[O-] ZINC000159299358 361229527 /nfs/dbraw/zinc/22/95/27/361229527.db2.gz ARYCWDAKMDKIDM-UHFFFAOYSA-N -1 0 218.253 0.185 20 0 BCADRM CC(C)[C@H]1C[C@H]1C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC000640464992 361235277 /nfs/dbraw/zinc/23/52/77/361235277.db2.gz LFFITCLQJDGZNG-HTQZYQBOSA-N -1 0 239.275 0.613 20 0 BCADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1nccs1 ZINC000640463584 361237261 /nfs/dbraw/zinc/23/72/61/361237261.db2.gz CCDKKKBJOOSDES-UHFFFAOYSA-N -1 0 240.244 0.092 20 0 BCADRM CC(C)[C@](C)(O)CNS(=O)(=O)c1ncc[n-]1 ZINC000381277965 361288983 /nfs/dbraw/zinc/28/89/83/361288983.db2.gz XIRDSBPXMPPKDA-SECBINFHSA-N -1 0 247.320 0.095 20 0 BCADRM C[C@@H]1C[C@@H](C)[C@@H](C(=O)NC2(CC(=O)[O-])CC2)O1 ZINC000578994645 366689888 /nfs/dbraw/zinc/68/98/88/366689888.db2.gz VRMQRLJPELKCKO-MRTMQBJTSA-N -1 0 241.287 0.923 20 0 BCADRM CC(C)[C@@](C)(O)CNS(=O)(=O)c1ncc[n-]1 ZINC000381277967 361289942 /nfs/dbraw/zinc/28/99/42/361289942.db2.gz XIRDSBPXMPPKDA-VIFPVBQESA-N -1 0 247.320 0.095 20 0 BCADRM C[C@@H](CC(=O)NC1(C(=O)[O-])CC1)n1ccnc1 ZINC000579246808 366744334 /nfs/dbraw/zinc/74/43/34/366744334.db2.gz LEUXFEMEBUMQRS-QMMMGPOBSA-N -1 0 237.259 0.568 20 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CC(C)(C)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000152456678 201199951 /nfs/dbraw/zinc/19/99/51/201199951.db2.gz UDFOTGGVBFBJMW-UHFFFAOYSA-N -1 0 243.288 0.328 20 0 BCADRM CCOc1nccc(C)c1C(=O)Nc1nnn[n-]1 ZINC000433977749 201200925 /nfs/dbraw/zinc/20/09/25/201200925.db2.gz CPZGPNFDDSRJMJ-UHFFFAOYSA-N -1 0 248.246 0.554 20 0 BCADRM CCC1(C(=O)NCc2n[nH]c(=O)[n-]2)CCC1 ZINC000434390944 201217422 /nfs/dbraw/zinc/21/74/22/201217422.db2.gz NPRQXMMXKFUEKF-UHFFFAOYSA-N -1 0 224.264 0.707 20 0 BCADRM C[C@@H](CC(=O)[O-])NC(=O)c1cccnc1 ZINC000036968706 361585639 /nfs/dbraw/zinc/58/56/39/361585639.db2.gz HXFARMLKZVTOMF-ZETCQYMHSA-N -1 0 208.217 0.675 20 0 BCADRM CCC[C@H](NC(=O)[C@@H](C)OCC)c1nnn[n-]1 ZINC000434772416 201239367 /nfs/dbraw/zinc/23/93/67/201239367.db2.gz ALGIEBFFIVDARE-SFYZADRCSA-N -1 0 241.295 0.582 20 0 BCADRM O=C([O-])CC1(CNS(=O)(=O)C2CC2)CCC1 ZINC000088048799 325645430 /nfs/dbraw/zinc/64/54/30/325645430.db2.gz TZIVSTYBCLEQQZ-UHFFFAOYSA-N -1 0 247.316 0.713 20 0 BCADRM O=C(NC1(c2nnn[n-]2)CC1)c1ccccc1O ZINC000436985307 201341525 /nfs/dbraw/zinc/34/15/25/201341525.db2.gz CIASLXQZNQKYQB-UHFFFAOYSA-N -1 0 245.242 0.324 20 0 BCADRM CC[C@@H](SC)C(=O)NC(C)(C)c1nnn[n-]1 ZINC000438034080 201383864 /nfs/dbraw/zinc/38/38/64/201383864.db2.gz GYFZWCJOPLUOSD-ZCFIWIBFSA-N -1 0 243.336 0.693 20 0 BCADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cnn1 ZINC000630098600 363890941 /nfs/dbraw/zinc/89/09/41/363890941.db2.gz FQTPXWYZLKAUDU-SECBINFHSA-N -1 0 237.259 0.624 20 0 BCADRM O=C([O-])CNC(=O)c1cnn(C2CC2)c1 ZINC000630098929 363895295 /nfs/dbraw/zinc/89/52/95/363895295.db2.gz JICBXFXINXUHGI-UHFFFAOYSA-N -1 0 209.205 0.032 20 0 BCADRM C[C@@H]1C[C@@H](C(=O)N(C)CC(=O)[O-])[C@@H](C)O1 ZINC000630098796 363896470 /nfs/dbraw/zinc/89/64/70/363896470.db2.gz HGSIVFPHYGIUHS-BWZBUEFSSA-N -1 0 215.249 0.343 20 0 BCADRM O=C([O-])CCCNC(=O)c1cnn(C2CC2)c1 ZINC000630098854 363896948 /nfs/dbraw/zinc/89/69/48/363896948.db2.gz IMNXKPKEYADMSY-UHFFFAOYSA-N -1 0 237.259 0.813 20 0 BCADRM COCCNC(=O)c1cc(C(=O)[O-])cnc1C ZINC000630100100 363902908 /nfs/dbraw/zinc/90/29/08/363902908.db2.gz FIBUIMIYFZXMRL-UHFFFAOYSA-N -1 0 238.243 0.464 20 0 BCADRM CCN(CC(=O)[O-])C(=O)CCc1ccncn1 ZINC000630127728 363937394 /nfs/dbraw/zinc/93/73/94/363937394.db2.gz FRZPXBWIIAERRO-UHFFFAOYSA-N -1 0 237.259 0.342 20 0 BCADRM CC[C@@](C)(NC(=O)c1nocc1C)C(=O)[O-] ZINC000630125949 363937423 /nfs/dbraw/zinc/93/74/23/363937423.db2.gz APXHSKZQGGDADA-SNVBAGLBSA-N -1 0 226.232 0.966 20 0 BCADRM CC(C)(C)[C@@H](NC(=O)c1cccnn1)C(=O)[O-] ZINC000630128484 363938484 /nfs/dbraw/zinc/93/84/84/363938484.db2.gz OEEOYVODTHLRRP-QMMMGPOBSA-N -1 0 237.259 0.706 20 0 BCADRM CCN(CC(=O)[O-])C(=O)c1nocc1C ZINC000630128102 363938895 /nfs/dbraw/zinc/93/88/95/363938895.db2.gz JHBRSSUFXLJSNX-UHFFFAOYSA-N -1 0 212.205 0.530 20 0 BCADRM CC[C@](C)(NC(=O)COCC(F)F)C(=O)[O-] ZINC000630126326 363939011 /nfs/dbraw/zinc/93/90/11/363939011.db2.gz GNTCPVBVHYNRKT-VIFPVBQESA-N -1 0 239.218 0.638 20 0 BCADRM CCO[C@H](C(=O)N(CC)CC(=O)[O-])C1CC1 ZINC000630128671 363950234 /nfs/dbraw/zinc/95/02/34/363950234.db2.gz VBOKUVWZECRARH-JTQLQIEISA-N -1 0 229.276 0.735 20 0 BCADRM COC[C@@H](C)NC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC000630102606 363920673 /nfs/dbraw/zinc/92/06/73/363920673.db2.gz KHHQPRQQLAGZGP-KZVJFYERSA-N -1 0 245.275 0.016 20 0 BCADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC1CC1 ZINC000630106795 363923170 /nfs/dbraw/zinc/92/31/70/363923170.db2.gz PDZCTQYJKYSZFE-UHFFFAOYSA-N -1 0 223.232 0.258 20 0 BCADRM O=C(CC1(C(=O)[O-])CCOCC1)NCC1CC1 ZINC000630107605 363923492 /nfs/dbraw/zinc/92/34/92/363923492.db2.gz VQPFFZWPHJIROJ-UHFFFAOYSA-N -1 0 241.287 0.784 20 0 BCADRM C[C@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC000630109695 363924873 /nfs/dbraw/zinc/92/48/73/363924873.db2.gz LSXAAXBKYMXRCB-CIQUZCHMSA-N -1 0 241.287 0.637 20 0 BCADRM C[C@@H]1C[C@H](C(=O)N(C)CC2CC2)O[C@H]1C(=O)[O-] ZINC000630112016 363925082 /nfs/dbraw/zinc/92/50/82/363925082.db2.gz VMTMWLKGGLOBHC-SZEHBUNVSA-N -1 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COC[C@H](NC(=O)c1cn[nH]n1)c1ccccc1 ZINC000171422920 385483404 /nfs/dbraw/zinc/48/34/04/385483404.db2.gz PFNURRIYGRZCJV-NSHDSACASA-N -1 0 246.270 0.922 20 0 BCADRM CN(CC1CCOCC1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000111161352 385500485 /nfs/dbraw/zinc/50/04/85/385500485.db2.gz VRGSTJQQWPSZKG-NXEZZACHSA-N -1 0 241.287 0.592 20 0 BCADRM C[C@@H](C1CC1)n1cc(NC(=O)C(=O)[O-])cn1 ZINC000309321316 385532173 /nfs/dbraw/zinc/53/21/73/385532173.db2.gz FGBHPHIEUGRDTL-LURJTMIESA-N -1 0 223.232 0.877 20 0 BCADRM C[C@@H](CC(=O)[O-])NC(=O)c1ncncc1Cl ZINC000309328336 385533952 /nfs/dbraw/zinc/53/39/52/385533952.db2.gz ADEUNSKVPIXIBR-YFKPBYRVSA-N -1 0 243.650 0.723 20 0 BCADRM C[C@H](CNC(=O)C[C@H]1CCOC1)CC(=O)[O-] ZINC000336729839 385539099 /nfs/dbraw/zinc/53/90/99/385539099.db2.gz DHESFTALDNWXPA-DTWKUNHWSA-N -1 0 229.276 0.640 20 0 BCADRM CO[C@H]1CCC[C@H](C(=O)[N-]S(C)(=O)=O)C1 ZINC000408126799 385557685 /nfs/dbraw/zinc/55/76/85/385557685.db2.gz SDYDFULYXRFKEA-YUMQZZPRSA-N -1 0 235.305 0.267 20 0 BCADRM CS[C@H](C)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000592467502 385572901 /nfs/dbraw/zinc/57/29/01/385572901.db2.gz VJDDEENWPKNKOG-ZCFIWIBFSA-N -1 0 243.288 0.658 20 0 BCADRM Cc1ccc(OCCCN=c2nn[n-]n2C)cc1 ZINC000593996716 385593196 /nfs/dbraw/zinc/59/31/96/385593196.db2.gz UOCZWPBZXCRBEU-UHFFFAOYSA-N -1 0 247.302 0.821 20 0 BCADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCc1nccs1 ZINC000063134077 385599109 /nfs/dbraw/zinc/59/91/09/385599109.db2.gz SAJQFFHANKFFBW-RNFRBKRXSA-N -1 0 240.284 0.523 20 0 BCADRM CCc1noc(C)c1C(=O)[N-]S(=O)(=O)CC ZINC000408373303 385588830 /nfs/dbraw/zinc/58/88/30/385588830.db2.gz KPXYHRQCPCWQGO-UHFFFAOYSA-N -1 0 246.288 0.625 20 0 BCADRM Cn1[n-]nnc1=NCc1nc2ccccc2s1 ZINC000593991850 385591755 /nfs/dbraw/zinc/59/17/55/385591755.db2.gz VEFKDZMBOJSVLY-UHFFFAOYSA-N -1 0 246.299 0.854 20 0 BCADRM COc1cccc([C@H](C)N=c2nn[n-]n2C)c1 ZINC000593992197 385591855 /nfs/dbraw/zinc/59/18/55/385591855.db2.gz SVNXWRFEAJXHKB-QMMMGPOBSA-N -1 0 233.275 0.814 20 0 BCADRM CCn1nc(C)c(CN=c2nn[n-]n2C)c1C ZINC000593996634 385593019 /nfs/dbraw/zinc/59/30/19/385593019.db2.gz NDSRJONTZHGJNC-UHFFFAOYSA-N -1 0 235.295 0.077 20 0 BCADRM CN(CCOc1ccccc1)C(=O)C(=O)[O-] ZINC000274060735 385622490 /nfs/dbraw/zinc/62/24/90/385622490.db2.gz AFPABFUYTMETAD-UHFFFAOYSA-N -1 0 223.228 0.608 20 0 BCADRM CCS(=O)(=O)[N-]C(=O)c1oc(C)nc1C ZINC000408450927 385633600 /nfs/dbraw/zinc/63/36/00/385633600.db2.gz KEWLXBMFGBZLDM-UHFFFAOYSA-N -1 0 232.261 0.371 20 0 BCADRM O=C([O-])C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000309531422 385666306 /nfs/dbraw/zinc/66/63/06/385666306.db2.gz BTXWQBUBDJQEOR-VIFPVBQESA-N -1 0 227.260 0.346 20 0 BCADRM CO[C@@H](C)c1nsc(=NC[C@@H](C)O)[n-]1 ZINC000336653144 385656229 /nfs/dbraw/zinc/65/62/29/385656229.db2.gz LIKDFBPGOATCQV-RITPCOANSA-N -1 0 217.294 0.460 20 0 BCADRM C[C@H](CN(C)C(=O)COC(F)F)c1nnn[n-]1 ZINC000354773731 385666127 /nfs/dbraw/zinc/66/61/27/385666127.db2.gz ACBYXFYAXBMWMM-RXMQYKEDSA-N -1 0 249.221 0.001 20 0 BCADRM CC[C@@H](C)[C@H](NC(=O)c1cncnc1)C(=O)[O-] ZINC000229798478 385673913 /nfs/dbraw/zinc/67/39/13/385673913.db2.gz JMQPFLLZVCEBOH-APPZFPTMSA-N -1 0 237.259 0.706 20 0 BCADRM CCN(CCO)C(=O)c1ccc(F)cc1[O-] ZINC000229823793 385677845 /nfs/dbraw/zinc/67/78/45/385677845.db2.gz LYYDCVZYUNZFDV-UHFFFAOYSA-N -1 0 227.235 0.986 20 0 BCADRM O=C([N-]OCc1ccccc1)[C@H]1CCCC(=O)N1 ZINC000270239446 385688805 /nfs/dbraw/zinc/68/88/05/385688805.db2.gz QSISPOUIXIQSMW-LLVKDONJSA-N -1 0 248.282 0.903 20 0 BCADRM CC(C)S(=O)(=O)[N-]C(=O)[C@@]1(C)CCOC1 ZINC000408456143 385691753 /nfs/dbraw/zinc/69/17/53/385691753.db2.gz ZZYGQVXROOUDLL-VIFPVBQESA-N -1 0 235.305 0.267 20 0 BCADRM O=C([O-])C(=O)N1CCC2(C1)CCOCC2 ZINC000307564668 385704531 /nfs/dbraw/zinc/70/45/31/385704531.db2.gz BPLFMQVFAMOYPM-UHFFFAOYSA-N -1 0 213.233 0.100 20 0 BCADRM COCc1nsc(=NC[C@@H](CO)C(C)C)[n-]1 ZINC000336688168 385708704 /nfs/dbraw/zinc/70/87/04/385708704.db2.gz JPMGJRXQEXODOB-QMMMGPOBSA-N -1 0 245.348 0.783 20 0 BCADRM CCS(=O)(=O)[N-]C(=O)C[C@H]1C=CCC1 ZINC000408375322 385740798 /nfs/dbraw/zinc/74/07/98/385740798.db2.gz SFCSATIIDUPKLE-QMMMGPOBSA-N -1 0 217.290 0.809 20 0 BCADRM O=C([O-])CCCNc1nccn(C2CC2)c1=O ZINC000061753205 385749181 /nfs/dbraw/zinc/74/91/81/385749181.db2.gz KJEAUPLRMZSHLV-UHFFFAOYSA-N -1 0 237.259 0.855 20 0 BCADRM CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)C1CC1 ZINC000309632113 385761355 /nfs/dbraw/zinc/76/13/55/385761355.db2.gz RJABNHYQHJBLHF-BDAKNGLRSA-N -1 0 247.316 0.664 20 0 BCADRM CCN(C(=O)c1ncccc1O)[C@H]1CCNC1=O ZINC000282036744 385726326 /nfs/dbraw/zinc/72/63/26/385726326.db2.gz BGXYLGDGIPBPRD-QMMMGPOBSA-N -1 0 249.270 0.138 20 0 BCADRM CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000408388218 385806937 /nfs/dbraw/zinc/80/69/37/385806937.db2.gz UNCMHQUTQFQPSV-MRVPVSSYSA-N -1 0 249.332 0.658 20 0 BCADRM CC[C@@H]1C[C@@H](C(=O)[N-]S(C)(=O)=O)CCO1 ZINC000408388460 385807533 /nfs/dbraw/zinc/80/75/33/385807533.db2.gz CMNQEHKHIRDNAM-JGVFFNPUSA-N -1 0 235.305 0.267 20 0 BCADRM C[C@@H]([N-]C(=O)C(F)(F)F)c1ncn(C)n1 ZINC000307004872 385823982 /nfs/dbraw/zinc/82/39/82/385823982.db2.gz DYIJQPOFMWRRRN-SCSAIBSYSA-N -1 0 222.170 0.555 20 0 BCADRM CN(CCO)C(=O)c1s[n-]c(=O)c1Cl ZINC000283744190 385830990 /nfs/dbraw/zinc/83/09/90/385830990.db2.gz NKVFKFUTSUTYOX-UHFFFAOYSA-N -1 0 236.680 0.566 20 0 BCADRM CCO[N-]C(=O)[C@@H]1CN(C)C(=O)c2ccccc21 ZINC000365892862 385832188 /nfs/dbraw/zinc/83/21/88/385832188.db2.gz HELJTIKUHXTFMK-LLVKDONJSA-N -1 0 248.282 0.924 20 0 BCADRM CO[C@@H](C)CS(=O)(=O)[N-]c1nccc(C)n1 ZINC000283906962 385838765 /nfs/dbraw/zinc/83/87/65/385838765.db2.gz DAHWGHWTQZMPMO-QMMMGPOBSA-N -1 0 245.304 0.562 20 0 BCADRM CO[C@H](C)CS(=O)(=O)[N-]c1ccccn1 ZINC000283923202 385841783 /nfs/dbraw/zinc/84/17/83/385841783.db2.gz DUGMYKQERGHHOV-MRVPVSSYSA-N -1 0 230.289 0.858 20 0 BCADRM Cc1nc(=NCCn2ccccc2=O)s[n-]1 ZINC000336718630 385843903 /nfs/dbraw/zinc/84/39/03/385843903.db2.gz XSMWSURNFUAFME-UHFFFAOYSA-N -1 0 236.300 0.542 20 0 BCADRM COc1cccc(NC(=O)Cc2nnn[n-]2)c1 ZINC000095192175 385850084 /nfs/dbraw/zinc/85/00/84/385850084.db2.gz QTPGIBHVOXBWSC-UHFFFAOYSA-N -1 0 233.231 0.390 20 0 BCADRM CO[C@@H](C)CS(=O)(=O)[N-]c1nccs1 ZINC000284264470 385858861 /nfs/dbraw/zinc/85/88/61/385858861.db2.gz VLNABGKYQDHCDA-LURJTMIESA-N -1 0 236.318 0.920 20 0 BCADRM CO[C@@H](C)CS(=O)(=O)[N-]c1nocc1C ZINC000284106127 385851696 /nfs/dbraw/zinc/85/16/96/385851696.db2.gz OXBFSNUFIDWJCN-ZETCQYMHSA-N -1 0 234.277 0.760 20 0 BCADRM CO[C@@H](C)CS(=O)(=O)[N-]c1nncs1 ZINC000284142527 385853509 /nfs/dbraw/zinc/85/35/09/385853509.db2.gz QYDFDCXFEOZRCQ-YFKPBYRVSA-N -1 0 237.306 0.315 20 0 BCADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)C1CCCC1 ZINC000408382001 385792408 /nfs/dbraw/zinc/79/24/08/385792408.db2.gz AZOLDOOSHHLAEB-VIFPVBQESA-N -1 0 247.316 0.412 20 0 BCADRM CS(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000021959860 385888943 /nfs/dbraw/zinc/88/89/43/385888943.db2.gz ONUPMCTUJRYGKL-SECBINFHSA-N -1 0 243.284 0.752 20 0 BCADRM Cc1ccc(CCC(=O)NCC(=O)[O-])o1 ZINC000123548577 385889589 /nfs/dbraw/zinc/88/95/89/385889589.db2.gz UGTNEOCBWAIEOE-UHFFFAOYSA-N -1 0 211.217 0.721 20 0 BCADRM CCC[C@H](NC(=O)C(C)(F)F)c1nnn[n-]1 ZINC000294973799 385930319 /nfs/dbraw/zinc/93/03/19/385930319.db2.gz NFVTXWQGGTZLBV-YFKPBYRVSA-N -1 0 233.222 0.812 20 0 BCADRM CCOC[C@@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(C)C ZINC000647738859 385895373 /nfs/dbraw/zinc/89/53/73/385895373.db2.gz KHXULRDKEBMWTB-OPRDCNLKSA-N -1 0 243.303 0.884 20 0 BCADRM C[C@@H](C[C@@H](O)c1cccs1)NC(=O)C(=O)[O-] ZINC000274206966 385898291 /nfs/dbraw/zinc/89/82/91/385898291.db2.gz VNOWBJTVAXJSGD-NKWVEPMBSA-N -1 0 243.284 0.761 20 0 BCADRM O=C(Nc1nnn[n-]1)c1cc2c([nH]1)CCCC2 ZINC000294816957 385899438 /nfs/dbraw/zinc/89/94/38/385899438.db2.gz KAWWGGWFKDUNGY-UHFFFAOYSA-N -1 0 232.247 0.659 20 0 BCADRM CCc1cc(N(C)Cc2n[n-]c(=O)o2)ncn1 ZINC000644877724 385902289 /nfs/dbraw/zinc/90/22/89/385902289.db2.gz ZVVUKVOKPFZILQ-UHFFFAOYSA-N -1 0 235.247 0.764 20 0 BCADRM CO[C@H](C)CN(C)C(=O)C(C)(C)C(=O)[O-] ZINC000308888372 385904231 /nfs/dbraw/zinc/90/42/31/385904231.db2.gz QLTYVLJCQGMPNO-SSDOTTSWSA-N -1 0 217.265 0.591 20 0 BCADRM Cn1ccc(S(=O)(=O)[N-]c2ccccn2)n1 ZINC000342059611 385920023 /nfs/dbraw/zinc/92/00/23/385920023.db2.gz KYMFAQAHPNPKLB-UHFFFAOYSA-N -1 0 238.272 0.616 20 0 BCADRM CS[C@@H](C)CC(=O)N[C@H](C)C(=O)[O-] ZINC000263078662 385920559 /nfs/dbraw/zinc/92/05/59/385920559.db2.gz GQOWIERHGQPNOG-NTSWFWBYSA-N -1 0 205.279 0.717 20 0 BCADRM COCc1nsc(=NC[C@@H](CO)C2CC2)[n-]1 ZINC000336720026 385860558 /nfs/dbraw/zinc/86/05/58/385860558.db2.gz YRADFVGRDAFLPR-QMMMGPOBSA-N -1 0 243.332 0.537 20 0 BCADRM Cc1nc(=NCCc2cnccn2)s[n-]1 ZINC000336741675 385866859 /nfs/dbraw/zinc/86/68/59/385866859.db2.gz VZZNLCGPZIDASC-UHFFFAOYSA-N -1 0 221.289 0.713 20 0 BCADRM CCN(C[C@H]1CCCO1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000647736159 385881552 /nfs/dbraw/zinc/88/15/52/385881552.db2.gz PCPZTCXHTPLSNN-OPRDCNLKSA-N -1 0 241.287 0.735 20 0 BCADRM Cc1nc(C)c(CNC(=O)C(=O)[O-])s1 ZINC000083904950 385978360 /nfs/dbraw/zinc/97/83/60/385978360.db2.gz ZGQPXSWHWVQRTR-UHFFFAOYSA-N -1 0 214.246 0.461 20 0 BCADRM CC(C)c1noc(=NC[C@H](O)C2CC2)[n-]1 ZINC000336747908 385981051 /nfs/dbraw/zinc/98/10/51/385981051.db2.gz CWJNRIZWOCCGHJ-QMMMGPOBSA-N -1 0 211.265 0.798 20 0 BCADRM CS[C@@H](C)C(=O)NC[C@H](C)C(=O)[O-] ZINC000124071398 385983497 /nfs/dbraw/zinc/98/34/97/385983497.db2.gz UPBDPQFRSQLLBZ-WDSKDSINSA-N -1 0 205.279 0.575 20 0 BCADRM C=CCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000309134653 385984580 /nfs/dbraw/zinc/98/45/80/385984580.db2.gz MBVRLUZHABQOCD-RKDXNWHRSA-N -1 0 226.276 0.925 20 0 BCADRM CCO[C@H](C)C(=O)Nc1nncn1C1CC1 ZINC000285993573 385986066 /nfs/dbraw/zinc/98/60/66/385986066.db2.gz XYCLCMLTRJRDTB-SSDOTTSWSA-N -1 0 224.264 0.977 20 0 BCADRM O=S(=O)(NCCOCC1CC1)c1ncc[n-]1 ZINC000309197598 385986532 /nfs/dbraw/zinc/98/65/32/385986532.db2.gz AUSMFAWDVYCXBJ-UHFFFAOYSA-N -1 0 245.304 0.115 20 0 BCADRM CCO[C@@H](C)C(=O)Nc1nncn1C1CC1 ZINC000285993574 385986821 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203.238 0.646 20 0 BCADRM CC[C@H](C)CC(=O)NCCc1nc(=O)o[n-]1 ZINC000280044663 171260129 /nfs/dbraw/zinc/26/01/29/171260129.db2.gz GRSHSWLUFRLAEU-ZETCQYMHSA-N -1 0 227.264 0.458 20 0 BCADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCOC ZINC000053730913 171311173 /nfs/dbraw/zinc/31/11/73/171311173.db2.gz OAGLMNBMXPINKQ-QMMMGPOBSA-N -1 0 217.265 0.735 20 0 BCADRM CC[C@H](C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000022157085 171344920 /nfs/dbraw/zinc/34/49/20/171344920.db2.gz VSVZTMFEKDMIIV-LURJTMIESA-N -1 0 246.288 0.790 20 0 BCADRM CC[C@H](C)[C@@H](NC(=O)c1cnccn1)C(=O)[O-] ZINC000001604814 171373205 /nfs/dbraw/zinc/37/32/05/171373205.db2.gz VJBXLMUHXKPEQC-IONNQARKSA-N -1 0 237.259 0.706 20 0 BCADRM CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)[O-] ZINC000040385964 171398431 /nfs/dbraw/zinc/39/84/31/171398431.db2.gz SIZYZNKQHXRQQQ-ZKWXMUAHSA-N -1 0 244.291 0.127 20 0 BCADRM CC[C@H](C)[C@H](NC(=O)c1cncnc1)C(=O)[O-] ZINC000229798484 171399221 /nfs/dbraw/zinc/39/92/21/171399221.db2.gz 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ZINC000061747618 176010361 /nfs/dbraw/zinc/01/03/61/176010361.db2.gz NDVVSDBUYLPGIV-RXMQYKEDSA-N -1 0 214.246 0.346 20 0 BCADRM C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)[O-] ZINC000336741895 176082284 /nfs/dbraw/zinc/08/22/84/176082284.db2.gz NQQCHASRABVMNL-BDAKNGLRSA-N -1 0 229.276 0.783 20 0 BCADRM C[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(C)(=O)=O ZINC000113650328 176089026 /nfs/dbraw/zinc/08/90/26/176089026.db2.gz XARAADZYGDTWDL-RKDXNWHRSA-N -1 0 249.332 0.658 20 0 BCADRM C[C@@H]1CCCN1C(=O)NCCC(=O)[O-] ZINC000040603671 176104911 /nfs/dbraw/zinc/10/49/11/176104911.db2.gz CQPJMXWSPZAQHC-SSDOTTSWSA-N -1 0 200.238 0.655 20 0 BCADRM C[C@@H]1CCC[C@@H](C(=O)[O-])N1C(=O)N(C)C ZINC000335310439 176113400 /nfs/dbraw/zinc/11/34/00/176113400.db2.gz ZGWGFPSJMKRYMX-SFYZADRCSA-N -1 0 214.265 0.996 20 0 BCADRM C[C@@H]1CCC[C@H](C(=O)Nc2nn[nH]n2)C1 ZINC000121436740 176136044 /nfs/dbraw/zinc/13/60/44/176136044.db2.gz FSXJZNYGMSFNNP-RQJHMYQMSA-N -1 0 209.253 0.965 20 0 BCADRM C[C@@H]1CCN(C(=O)NCCCC(=O)[O-])C1 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C[C@@H]1CN(C(=O)CCCC(=O)[O-])C[C@@H](C)O1 ZINC000021958942 176245643 /nfs/dbraw/zinc/24/56/43/176245643.db2.gz ZZMYZDYBBSEECT-RKDXNWHRSA-N -1 0 229.276 0.877 20 0 BCADRM C[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000293984620 176247112 /nfs/dbraw/zinc/24/71/12/176247112.db2.gz HHTHKQGXKSRKNH-PHDIDXHHSA-N -1 0 242.304 0.057 20 0 BCADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000037460648 176256302 /nfs/dbraw/zinc/25/63/02/176256302.db2.gz AFYNDCVFCJXMHW-BGZDPUMWSA-N -1 0 227.260 0.343 20 0 BCADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCS1 ZINC000137288367 176256479 /nfs/dbraw/zinc/25/64/79/176256479.db2.gz JSSQYAXXJLUVAV-PRJMDXOYSA-N -1 0 229.301 0.671 20 0 BCADRM C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C(=O)[O-] ZINC000111250644 176263611 /nfs/dbraw/zinc/26/36/11/176263611.db2.gz JDEDUJACUJAFDX-HTQZYQBOSA-N -1 0 237.259 0.213 20 0 BCADRM C[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H]1C(=O)[O-] ZINC000235335919 176312908 /nfs/dbraw/zinc/31/29/08/176312908.db2.gz FYWCFLXQQZGQGG-HTRCEHHLSA-N -1 0 233.289 0.131 20 0 BCADRM C[C@@H]1COCCN1C(=O)NCCCC(=O)[O-] ZINC000040577704 176334105 /nfs/dbraw/zinc/33/41/05/176334105.db2.gz JHTWGCPOYLIUCC-MRVPVSSYSA-N -1 0 230.264 0.282 20 0 BCADRM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCOC2)C1 ZINC000062914146 176528347 /nfs/dbraw/zinc/52/83/47/176528347.db2.gz LMCQPRKAMSVIRW-GZMMTYOYSA-N -1 0 227.260 0.346 20 0 BCADRM C[C@H](C(=O)NCCC(=O)[O-])c1cccnc1 ZINC000261577335 176571093 /nfs/dbraw/zinc/57/10/93/176571093.db2.gz KZKPLZDXEAOKDN-QMMMGPOBSA-N -1 0 222.244 0.776 20 0 BCADRM C[C@H](C(=O)[O-])C1CN(C(=O)N(C)C)C1 ZINC000129966279 176581788 /nfs/dbraw/zinc/58/17/88/176581788.db2.gz UHXLBAQJDMDUBO-LURJTMIESA-N -1 0 200.238 0.321 20 0 BCADRM C[C@H](C(=O)[O-])C(=O)NCc1ccccn1 ZINC000077301269 176581796 /nfs/dbraw/zinc/58/17/96/176581796.db2.gz JORTZNLSKQIPBW-ZETCQYMHSA-N -1 0 208.217 0.419 20 0 BCADRM C[C@H](C(=O)[O-])N(C(=O)C[C@@H]1CCOC1)C1CC1 ZINC000362345820 176581918 /nfs/dbraw/zinc/58/19/18/176581918.db2.gz INZZQPBAFVSZOT-BDAKNGLRSA-N -1 0 241.287 0.877 20 0 BCADRM C[C@H](CC(=O)[O-])NC(=O)c1ccncc1 ZINC000037116117 176602274 /nfs/dbraw/zinc/60/22/74/176602274.db2.gz BHPKKEUJCCOJQF-SSDOTTSWSA-N -1 0 208.217 0.675 20 0 BCADRM C[C@H](CNC(=O)COCC(F)(F)F)C(=O)[O-] ZINC000124072064 176672851 /nfs/dbraw/zinc/67/28/51/176672851.db2.gz SJOJDAABLJTFSQ-RXMQYKEDSA-N -1 0 243.181 0.402 20 0 BCADRM C[C@H](COc1ccccc1)C(=O)NCC(=O)[O-] ZINC000041278193 176714368 /nfs/dbraw/zinc/71/43/68/176714368.db2.gz UJSAHVMOSFYION-SECBINFHSA-N -1 0 237.255 0.902 20 0 BCADRM C[C@H](Cc1cccc(O)c1)NC(=O)C(=O)[O-] ZINC000309668789 176722685 /nfs/dbraw/zinc/72/26/85/176722685.db2.gz IZALCSBOVSYDDU-SSDOTTSWSA-N -1 0 223.228 0.524 20 0 BCADRM C[C@H](Cn1cccn1)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037796509 176730052 /nfs/dbraw/zinc/73/00/52/176730052.db2.gz QAKJYWUKACHNJF-VGMNWLOBSA-N -1 0 237.259 0.109 20 0 BCADRM C[C@H](NC(=O)C(=O)[O-])[C@@H]1COc2ccccc21 ZINC000375851351 176784730 /nfs/dbraw/zinc/78/47/30/176784730.db2.gz UORAJHGIDIFHJK-CBAPKCEASA-N -1 0 235.239 0.752 20 0 BCADRM C[C@H](NC(=O)/C=C/c1ccco1)C(=O)[O-] ZINC000013507357 176785303 /nfs/dbraw/zinc/78/53/03/176785303.db2.gz UKCJRCWRMSVIMO-KPJROHGDSA-N -1 0 209.201 0.882 20 0 BCADRM C[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(=O)[O-] ZINC000019386781 176810812 /nfs/dbraw/zinc/81/08/12/176810812.db2.gz WOKAUJIWMYEENQ-XVKPBYJWSA-N -1 0 235.239 0.579 20 0 BCADRM C[C@H](NC(N)=O)C(=O)[N-]OCc1ccccc1 ZINC000031615917 176825105 /nfs/dbraw/zinc/82/51/05/176825105.db2.gz GNYDYHNWTUDVRH-QMMMGPOBSA-N -1 0 237.259 0.291 20 0 BCADRM CC[C@@](C)(NS(=O)(=O)CC)C(=O)[O-] ZINC000086796921 322932181 /nfs/dbraw/zinc/93/21/81/322932181.db2.gz KSEXPOZXLANPRH-SSDOTTSWSA-N -1 0 209.267 0.179 20 0 BCADRM C[C@H](O)C(=O)[N-]OCc1ccc(F)cc1 ZINC000186458664 176944017 /nfs/dbraw/zinc/94/40/17/176944017.db2.gz JJJMOLCROQRKIW-ZETCQYMHSA-N -1 0 213.208 0.754 20 0 BCADRM C[C@H](O)[C@H]1CCN(c2cccc(C(=O)[O-])n2)C1 ZINC000161032188 177015887 /nfs/dbraw/zinc/01/58/87/177015887.db2.gz LHMJEFMTLKBPHF-IUCAKERBSA-N -1 0 236.271 0.987 20 0 BCADRM C[C@H](Oc1cccc(F)c1)C(=O)NCC(=O)[O-] ZINC000036973022 177024085 /nfs/dbraw/zinc/02/40/85/177024085.db2.gz VMBJUTVVQBOEQL-ZETCQYMHSA-N -1 0 241.218 0.794 20 0 BCADRM C[C@H](SCCN1CCOCC1)C(=O)[O-] ZINC000019840662 177027141 /nfs/dbraw/zinc/02/71/41/177027141.db2.gz WNBSAZKBIFAFOW-QMMMGPOBSA-N -1 0 219.306 0.525 20 0 BCADRM C[C@H](c1cccc(O)c1)N(C)C(=O)C(=O)[O-] ZINC000274191469 177036896 /nfs/dbraw/zinc/03/68/96/177036896.db2.gz RDDJFLKJVGGCQR-SSDOTTSWSA-N -1 0 223.228 0.996 20 0 BCADRM C[C@H]1C(=O)NCCN1Cc1cc(C(=O)[O-])co1 ZINC000104129172 177059289 /nfs/dbraw/zinc/05/92/89/177059289.db2.gz UQMSKBXMQZEVGY-ZETCQYMHSA-N -1 0 238.243 0.298 20 0 BCADRM C[C@H]1CCN(C(=O)N(C)CCC(=O)[O-])C1 ZINC000040726109 177148534 /nfs/dbraw/zinc/14/85/34/177148534.db2.gz SVAINEKCNBKCFX-QMMMGPOBSA-N -1 0 214.265 0.855 20 0 BCADRM C[C@H](NC(=O)N1CC[C@H](C)C1)C(=O)[O-] ZINC000040725753 177150176 /nfs/dbraw/zinc/15/01/76/177150176.db2.gz ZYUYEGWPCFJROW-BQBZGAKWSA-N -1 0 200.238 0.511 20 0 BCADRM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1ncccc1O ZINC000195146719 177173488 /nfs/dbraw/zinc/17/34/88/177173488.db2.gz VMXNGJOCWJCEEY-IONNQARKSA-N -1 0 249.270 0.042 20 0 BCADRM C[C@@H]1CO[C@@H](C)CN1C(=O)NCCC(=O)[O-] ZINC000040578063 177219668 /nfs/dbraw/zinc/21/96/68/177219668.db2.gz IARYWFMBDVCTCA-SFYZADRCSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@H]1CN(C(=O)NCCCC(=O)[O-])CCO1 ZINC000040531398 177220210 /nfs/dbraw/zinc/22/02/10/177220210.db2.gz XUVLXOUPLBUGEZ-QMMMGPOBSA-N -1 0 230.264 0.282 20 0 BCADRM C[C@@H]1CN(C(=O)CCCC(=O)[O-])[C@@H](C)CO1 ZINC000035783889 177301057 /nfs/dbraw/zinc/30/10/57/177301057.db2.gz KPRMZSHOPAOZDT-DTWKUNHWSA-N -1 0 229.276 0.877 20 0 BCADRM C[C@H]1CSCCN1C(=O)NCCCC(=O)[O-] ZINC000069762744 177304009 /nfs/dbraw/zinc/30/40/09/177304009.db2.gz QJUDZPCHOSCZLC-QMMMGPOBSA-N -1 0 246.332 0.998 20 0 BCADRM C[C@H]1C[C@@H](NC(=O)CSCC(=O)[O-])CCO1 ZINC000235586873 177328811 /nfs/dbraw/zinc/32/88/11/177328811.db2.gz USOWMWPBRSQBJI-YUMQZZPRSA-N -1 0 247.316 0.488 20 0 BCADRM C[C@H]1C[C@H]1C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000038029678 177377216 /nfs/dbraw/zinc/37/72/16/177377216.db2.gz SRUVZGBCTTZHJK-POYBYMJQSA-N -1 0 223.232 0.562 20 0 BCADRM C[C@H]1OCC[C@]1(C)NC(=O)NCCCC(=O)[O-] ZINC000235614424 177409280 /nfs/dbraw/zinc/40/92/80/177409280.db2.gz LMGXHDKYEFFIMQ-KCJUWKMLSA-N -1 0 244.291 0.718 20 0 BCADRM O=C([O-])[C@H](NC(=O)CCCF)C1CCOCC1 ZINC000668305487 487639069 /nfs/dbraw/zinc/63/90/69/487639069.db2.gz OEVIMABIALAQSA-SNVBAGLBSA-N -1 0 247.266 0.732 20 0 BCADRM CC(C)[C@@H](NC(=O)CCCF)C(=O)[O-] ZINC000659116721 487639752 /nfs/dbraw/zinc/63/97/52/487639752.db2.gz FBANGKMLOVAOFQ-MRVPVSSYSA-N -1 0 205.229 0.962 20 0 BCADRM Cc1cccnc1CNC(=O)c1cc(=O)n(C)[n-]1 ZINC000668312215 487639900 /nfs/dbraw/zinc/63/99/00/487639900.db2.gz PQIQOYXQGXEBHX-UHFFFAOYSA-N -1 0 246.270 0.759 20 0 BCADRM CC(C)[C@H](NC(=O)CCCF)C(=O)[O-] ZINC000659116722 487639591 /nfs/dbraw/zinc/63/95/91/487639591.db2.gz FBANGKMLOVAOFQ-QMMMGPOBSA-N -1 0 205.229 0.962 20 0 BCADRM C[C@@H]1C[C@@H]1C(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000668312244 487640092 /nfs/dbraw/zinc/64/00/92/487640092.db2.gz QMPKULKUTCGOIB-FKTZTGRPSA-N -1 0 241.287 0.638 20 0 BCADRM CCOCC(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000668312146 487640121 /nfs/dbraw/zinc/64/01/21/487640121.db2.gz NZPSAFCUGIPFMI-JTQLQIEISA-N -1 0 245.275 0.019 20 0 BCADRM CC(C)C(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000668311189 487640341 /nfs/dbraw/zinc/64/03/41/487640341.db2.gz PFZJWEUMKZTKBJ-SECBINFHSA-N -1 0 229.276 0.638 20 0 BCADRM CCOCC(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000668312147 487640417 /nfs/dbraw/zinc/64/04/17/487640417.db2.gz NZPSAFCUGIPFMI-SNVBAGLBSA-N -1 0 245.275 0.019 20 0 BCADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCOCC2(CC2)C1 ZINC000668313856 487640996 /nfs/dbraw/zinc/64/09/96/487640996.db2.gz BYIGHWMHXQJBSV-DTWKUNHWSA-N -1 0 239.271 0.346 20 0 BCADRM CO[C@H]1CC[C@@H](C(=O)NCCCC(=O)[O-])C1 ZINC000659116954 487641285 /nfs/dbraw/zinc/64/12/85/487641285.db2.gz MEWRSISSIGIRIZ-BDAKNGLRSA-N -1 0 229.276 0.783 20 0 BCADRM CC[C@@H](C(=O)[O-])N(C)c1nccn2cnnc12 ZINC000079454372 487646070 /nfs/dbraw/zinc/64/60/70/487646070.db2.gz AZLSEAPLLOGTRN-ZETCQYMHSA-N -1 0 235.247 0.424 20 0 BCADRM O=C(/C=C/c1ccccc1)NOCCO ZINC000492648769 226032421 /nfs/dbraw/zinc/03/24/21/226032421.db2.gz LOSADPOYBNOBEW-VOTSOKGWSA-N -1 0 207.229 0.740 20 0 BCADRM O=C(/C=C/C1CC1)NC1(c2nnn[n-]2)CC1 ZINC000493348255 226192116 /nfs/dbraw/zinc/19/21/16/226192116.db2.gz DQKAAGQRQIBXNV-ONEGZZNKSA-N -1 0 219.248 0.271 20 0 BCADRM O=C(/C=C/C1CC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000493194225 226152400 /nfs/dbraw/zinc/15/24/00/226152400.db2.gz UEMFWZMWSICDTH-VTGJIDGJSA-N -1 0 209.245 0.932 20 0 BCADRM C[C@H](CNC(=O)/C=C\c1ccncn1)CC(=O)[O-] ZINC000493347332 226191442 /nfs/dbraw/zinc/19/14/42/226191442.db2.gz BXJGVZFQUYVIQP-XADBCAIWSA-N -1 0 249.270 0.717 20 0 BCADRM O=C([O-])COCCNC(=O)/C=C/C1CCCC1 ZINC000493568560 226243927 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487921590 /nfs/dbraw/zinc/92/15/90/487921590.db2.gz RLKNQYHLDXAMKD-MRVPVSSYSA-N -1 0 229.276 0.640 20 0 BCADRM CCOCC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000083593280 487922161 /nfs/dbraw/zinc/92/21/61/487922161.db2.gz FQUAJSBJYUCQFI-QMMMGPOBSA-N -1 0 217.265 0.496 20 0 BCADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1csnn1 ZINC000083591474 487922198 /nfs/dbraw/zinc/92/21/98/487922198.db2.gz NDACLTITLFJWGW-LURJTMIESA-N -1 0 229.261 0.473 20 0 BCADRM CC(C)[C@@H](CNC(=O)c1csnn1)C(=O)[O-] ZINC000083593266 487922372 /nfs/dbraw/zinc/92/23/72/487922372.db2.gz MNOWGZBZHMDDBT-ZCFIWIBFSA-N -1 0 243.288 0.625 20 0 BCADRM C[C@@H](CNC(=O)c1cncn1C)CC(=O)[O-] ZINC000235113461 487921833 /nfs/dbraw/zinc/92/18/33/487921833.db2.gz MKDKMXRLTVUWNN-SSDOTTSWSA-N -1 0 225.248 0.261 20 0 BCADRM CC(C)[C@H](CNC(=O)[C@@H]1CCCO1)C(=O)[O-] ZINC000083593174 487921961 /nfs/dbraw/zinc/92/19/61/487921961.db2.gz FOOLMMXJXBQJMT-IUCAKERBSA-N -1 0 229.276 0.638 20 0 BCADRM CC(C)[C@@H](CNC(=O)c1ccon1)C(=O)[O-] ZINC000083593288 487923017 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587260669 /nfs/dbraw/zinc/26/06/69/587260669.db2.gz FBZXPWRAWXSDJP-QMMMGPOBSA-N -1 0 233.264 0.594 20 0 BCADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](O)C1 ZINC000824211025 587260732 /nfs/dbraw/zinc/26/07/32/587260732.db2.gz LRVVNEKKHDXNED-BDAKNGLRSA-N -1 0 244.291 0.262 20 0 BCADRM CC(C)CCNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000824238687 587262367 /nfs/dbraw/zinc/26/23/67/587262367.db2.gz JZNSIAJYIVBWBZ-SECBINFHSA-N -1 0 244.291 0.528 20 0 BCADRM CC(C)COC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000824268129 587264126 /nfs/dbraw/zinc/26/41/26/587264126.db2.gz KETYQKSRYKCVHI-QMMMGPOBSA-N -1 0 231.248 0.564 20 0 BCADRM CC(C)CNC(=O)CC1CN(C(=O)[O-])C1 ZINC000824264315 587264197 /nfs/dbraw/zinc/26/41/97/587264197.db2.gz XWLISEVSZNIBOE-UHFFFAOYSA-N -1 0 214.265 0.759 20 0 BCADRM CC(C)CON=c1[nH]ccnc1-c1nnn[n-]1 ZINC000824270795 587264258 /nfs/dbraw/zinc/26/42/58/587264258.db2.gz HCTMUNAHVIPKAG-UHFFFAOYSA-N -1 0 235.251 0.656 20 0 BCADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NC1CC1 ZINC000824291671 587265173 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ZINC000824600548 587278947 /nfs/dbraw/zinc/27/89/47/587278947.db2.gz YXTDINPYAUIKJH-IWSPIJDZSA-N -1 0 244.291 0.668 20 0 BCADRM C[C@@H](CC(=O)N=c1sccn1C)NC(=O)[O-] ZINC000824605055 587279044 /nfs/dbraw/zinc/27/90/44/587279044.db2.gz HKUFRVRXUVKTKJ-LURJTMIESA-N -1 0 243.288 0.560 20 0 BCADRM C[C@@H](NC(=O)C[C@H](C)NC(=O)[O-])C(C)(C)O ZINC000824605629 587279079 /nfs/dbraw/zinc/27/90/79/587279079.db2.gz KMGVKIHNEMSOTL-NKWVEPMBSA-N -1 0 232.280 0.308 20 0 BCADRM C[C@@H](NC(=O)C[C@H](C)NC(=O)[O-])c1nc[nH]n1 ZINC000824615654 587279324 /nfs/dbraw/zinc/27/93/24/587279324.db2.gz VOJAVRGKXOCHHN-NTSWFWBYSA-N -1 0 241.251 0.028 20 0 BCADRM C[C@H](CC(=O)N[C@@H]1CCSC1)NC(=O)[O-] ZINC000824620717 587279741 /nfs/dbraw/zinc/27/97/41/587279741.db2.gz AAZGRGVZEFKRHL-RNFRBKRXSA-N -1 0 232.305 0.654 20 0 BCADRM C[C@@H](CC(=O)NCC(C)(C)CCO)NC(=O)[O-] ZINC000824629420 587280109 /nfs/dbraw/zinc/28/01/09/587280109.db2.gz PGCIUCCBSZNFAE-QMMMGPOBSA-N -1 0 246.307 0.557 20 0 BCADRM CC(C)[C@H](O)CNC(=O)C[C@H](C)NC(=O)[O-] ZINC000824629798 587280149 /nfs/dbraw/zinc/28/01/49/587280149.db2.gz RSEGHRJEOSAFIJ-JGVFFNPUSA-N -1 0 232.280 0.166 20 0 BCADRM C[C@@H](CC(=O)NCC1(C)CC1)NC(=O)[O-] ZINC000824630122 587280195 /nfs/dbraw/zinc/28/01/95/587280195.db2.gz UTIRNXWOSXXBAF-ZETCQYMHSA-N -1 0 214.265 0.949 20 0 BCADRM C[C@H](CC(=O)NC[C@]1(C)CCOC1)NC(=O)[O-] ZINC000824629210 587280197 /nfs/dbraw/zinc/28/01/97/587280197.db2.gz OCULHLRTTZVNQH-KCJUWKMLSA-N -1 0 244.291 0.575 20 0 BCADRM C[C@H](CC(=O)NCc1nccn1C)NC(=O)[O-] ZINC000824672054 587281752 /nfs/dbraw/zinc/28/17/52/587281752.db2.gz QOVBFDAPOUXCTM-SSDOTTSWSA-N -1 0 240.263 0.083 20 0 BCADRM C[C@H](CC(=O)NCc1ccoc1)NC(=O)[O-] ZINC000824663846 587281757 /nfs/dbraw/zinc/28/17/57/587281757.db2.gz DWJOSDARZZACJP-SSDOTTSWSA-N -1 0 226.232 0.942 20 0 BCADRM C[C@@H](CC(=O)NCc1nccn1C)NC(=O)[O-] ZINC000824672055 587281846 /nfs/dbraw/zinc/28/18/46/587281846.db2.gz QOVBFDAPOUXCTM-ZETCQYMHSA-N -1 0 240.263 0.083 20 0 BCADRM C[C@@H](CC(=O)NCc1ncc[nH]1)NC(=O)[O-] ZINC000824670822 587282074 /nfs/dbraw/zinc/28/20/74/587282074.db2.gz AVGZMCVFCAERIC-LURJTMIESA-N -1 0 226.236 0.072 20 0 BCADRM C[C@H](C[C@H](C)O)Nc1ncccc1-c1nn[nH]n1 ZINC000824699014 587283328 /nfs/dbraw/zinc/28/33/28/587283328.db2.gz PEOHBAVDRQFFGL-SFYZADRCSA-N -1 0 248.290 0.833 20 0 BCADRM C[C@H](CC(=O)OC[C@@H]1CCCO1)NC(=O)[O-] ZINC000824727068 587284713 /nfs/dbraw/zinc/28/47/13/587284713.db2.gz CTBUQPVKDBVAEF-SFYZADRCSA-N -1 0 231.248 0.755 20 0 BCADRM C[C@H](CC(=O)OC[C@@H]1CCOC1)NC(=O)[O-] ZINC000824729338 587284778 /nfs/dbraw/zinc/28/47/78/587284778.db2.gz PQGFXUBCRCDJBF-HTQZYQBOSA-N -1 0 231.248 0.612 20 0 BCADRM C[C@@H](CC(=O)OCCn1cccn1)NC(=O)[O-] ZINC000824736118 587284810 /nfs/dbraw/zinc/28/48/10/587284810.db2.gz MPBGJQUPCQSMIJ-QMMMGPOBSA-N -1 0 241.247 0.473 20 0 BCADRM C[C@@H](CC(=O)OCC1(C)COC1)NC(=O)[O-] ZINC000824727955 587284867 /nfs/dbraw/zinc/28/48/67/587284867.db2.gz JYYWIRPKZWDEOI-ZETCQYMHSA-N -1 0 231.248 0.612 20 0 BCADRM C[C@@H](CC(=O)OCC1CC1)NC(=O)[O-] ZINC000824730515 587284922 /nfs/dbraw/zinc/28/49/22/587284922.db2.gz XXLPBYAKQIPGPY-LURJTMIESA-N -1 0 201.222 0.986 20 0 BCADRM C[C@H](CCCO)NC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000824775785 587286782 /nfs/dbraw/zinc/28/67/82/587286782.db2.gz HJNLEPISOJFCPW-BDAKNGLRSA-N -1 0 244.291 0.406 20 0 BCADRM C[C@@H](CCCO)NC(=O)C(C)(C)CNC(=O)[O-] ZINC000824775531 587286835 /nfs/dbraw/zinc/28/68/35/587286835.db2.gz CVRJRUKBMFPFMO-QMMMGPOBSA-N -1 0 246.307 0.557 20 0 BCADRM C[C@@H](CCNC(=O)C(=O)C(C)(C)C)NC(=O)[O-] ZINC000824776160 587286875 /nfs/dbraw/zinc/28/68/75/587286875.db2.gz KJTFBCFIZFALOS-ZETCQYMHSA-N -1 0 244.291 0.764 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)N[C@@H](C)CCCO ZINC000824776332 587286968 /nfs/dbraw/zinc/28/69/68/587286968.db2.gz LGTPYENOLHFFAG-BDAKNGLRSA-N -1 0 246.307 0.510 20 0 BCADRM C[C@@H](CCCO)NC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000824778876 587287471 /nfs/dbraw/zinc/28/74/71/587287471.db2.gz WKYUYEYFIYXBNQ-IUCAKERBSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@@H](CCNC(=O)Cc1ccco1)NC(=O)[O-] ZINC000824786584 587287945 /nfs/dbraw/zinc/28/79/45/587287945.db2.gz OINGVHQMWITVDC-QMMMGPOBSA-N -1 0 240.259 0.985 20 0 BCADRM C[C@@H](CCO)CNC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000824801934 587288145 /nfs/dbraw/zinc/28/81/45/587288145.db2.gz HBPWPVYDWZNBCH-IUCAKERBSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@@H](CCNC(=O)c1ccn(C)c1)NC(=O)[O-] ZINC000824802603 587288170 /nfs/dbraw/zinc/28/81/70/587288170.db2.gz MGMOZXIIEUYHRJ-QMMMGPOBSA-N -1 0 239.275 0.801 20 0 BCADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H](C)CCO ZINC000824801212 587288323 /nfs/dbraw/zinc/28/83/23/587288323.db2.gz AZOUZNFSXQTYSD-IUCAKERBSA-N -1 0 246.307 0.413 20 0 BCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H](C)CCO ZINC000824801211 587288385 /nfs/dbraw/zinc/28/83/85/587288385.db2.gz AZOUZNFSXQTYSD-DTWKUNHWSA-N -1 0 246.307 0.413 20 0 BCADRM C[C@@H](CCO)NC(=O)C1(NC(=O)[O-])CCCC1 ZINC000824809797 587288589 /nfs/dbraw/zinc/28/85/89/587288589.db2.gz KLTHYMCLENIQKP-QMMMGPOBSA-N -1 0 244.291 0.454 20 0 BCADRM C[C@@H](CCO)NC(=O)CC(C)(C)NC(=O)[O-] ZINC000824810777 587288825 /nfs/dbraw/zinc/28/88/25/587288825.db2.gz UCFPKZBHXRZOQN-ZETCQYMHSA-N -1 0 232.280 0.310 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N(C)c1cn[nH]c1 ZINC000824825451 587289028 /nfs/dbraw/zinc/28/90/28/587289028.db2.gz SRHBNVQQFKVCTQ-ZETCQYMHSA-N -1 0 240.263 0.618 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NC1=NCCS1 ZINC000824848073 587289911 /nfs/dbraw/zinc/28/99/11/587289911.db2.gz LRZVRYURHIDXEG-LURJTMIESA-N -1 0 245.304 0.451 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@@H]1CCSC1 ZINC000824850056 587290139 /nfs/dbraw/zinc/29/01/39/587290139.db2.gz VZXXMDDDVCCMJU-JGVFFNPUSA-N -1 0 246.332 0.854 20 0 BCADRM CC(C)[C@H](O)CNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000824853506 587290209 /nfs/dbraw/zinc/29/02/09/587290209.db2.gz AGRYYQFYPGXAOW-DTWKUNHWSA-N -1 0 246.307 0.365 20 0 BCADRM CC(C)[C@H](O)CNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000824853508 587290397 /nfs/dbraw/zinc/29/03/97/587290397.db2.gz AGRYYQFYPGXAOW-RKDXNWHRSA-N -1 0 246.307 0.365 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NC[C@@H](O)C1CC1 ZINC000824854040 587290475 /nfs/dbraw/zinc/29/04/75/587290475.db2.gz GHNIGOBUGTWLOH-IONNQARKSA-N -1 0 244.291 0.119 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCC(F)(F)F ZINC000824854975 587290790 /nfs/dbraw/zinc/29/07/90/587290790.db2.gz NBNYLHFICWZJPU-RXMQYKEDSA-N -1 0 242.197 0.911 20 0 BCADRM C[C@@H]1C[C@@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000824900005 587292626 /nfs/dbraw/zinc/29/26/26/587292626.db2.gz RHNYFQSARSQFKC-VDTYLAMSSA-N -1 0 232.247 0.333 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)OCc1ccon1 ZINC000824895796 587292778 /nfs/dbraw/zinc/29/27/78/587292778.db2.gz FOGZEKQGRVFGKM-SSDOTTSWSA-N -1 0 242.231 0.964 20 0 BCADRM C[C@H](CNC(=O)C1(NC(=O)[O-])CC1)C1CC1 ZINC000824916378 587293433 /nfs/dbraw/zinc/29/34/33/587293433.db2.gz RUVFZZQZOIVZMY-SSDOTTSWSA-N -1 0 226.276 0.949 20 0 BCADRM C[C@H](CNC(=O)NC1CN(C(=O)[O-])C1)C1CC1 ZINC000824939832 587294173 /nfs/dbraw/zinc/29/41/73/587294173.db2.gz 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587323832 /nfs/dbraw/zinc/32/38/32/587323832.db2.gz DYCCBCXUAXMJJU-MRVPVSSYSA-N -1 0 221.264 0.909 20 0 BCADRM CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1nnn[n-]1 ZINC000825531952 587323986 /nfs/dbraw/zinc/32/39/86/587323986.db2.gz PZBJTWRXQYVLFJ-XHNCKOQMSA-N -1 0 235.291 0.989 20 0 BCADRM C[C@H](OC(=O)CNC(=O)[O-])c1cnccn1 ZINC000825592517 587326579 /nfs/dbraw/zinc/32/65/79/587326579.db2.gz NCHNWTUJGXVJOR-LURJTMIESA-N -1 0 225.204 0.348 20 0 BCADRM CC1(C(=O)N2CCCN(C(=O)[O-])CC2)CC1 ZINC000825650232 587328861 /nfs/dbraw/zinc/32/88/61/587328861.db2.gz GNLQUGDKTHWTSA-UHFFFAOYSA-N -1 0 226.276 0.999 20 0 BCADRM C=CC(=O)NCCC(=O)N(CCC)CC(=O)[O-] ZINC000825653925 587329015 /nfs/dbraw/zinc/32/90/15/587329015.db2.gz WGGSMFXYYRKZBH-UHFFFAOYSA-N -1 0 242.275 0.002 20 0 BCADRM C[C@]1(C(=O)N2CC[C@@H](NC(=O)[O-])C2)CCCO1 ZINC000825650795 587329031 /nfs/dbraw/zinc/32/90/31/587329031.db2.gz QHPDGFZKLOAPGR-LDYMZIIASA-N -1 0 242.275 0.424 20 0 BCADRM C[C@]1(C(=O)N2CCC2)CCN(C(=O)[O-])C1 ZINC000825650159 587329237 /nfs/dbraw/zinc/32/92/37/587329237.db2.gz FBGRDTRQNDSVHF-JTQLQIEISA-N -1 0 212.249 0.609 20 0 BCADRM C[C@@]1(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCCO1 ZINC000825656338 587329382 /nfs/dbraw/zinc/32/93/82/587329382.db2.gz BJYIUJWQUBMDGX-KWQFWETISA-N -1 0 242.275 0.424 20 0 BCADRM C[C@@]1(C(=O)NC2CC2)CCN(C(=O)[O-])C1 ZINC000825656503 587329425 /nfs/dbraw/zinc/32/94/25/587329425.db2.gz DXWYGARPNGYAHQ-SNVBAGLBSA-N -1 0 212.249 0.655 20 0 BCADRM CC1(C(=O)NCCCNC(=O)[O-])CC1 ZINC000825663929 587330123 /nfs/dbraw/zinc/33/01/23/587330123.db2.gz UEEACAVFAGBWDD-UHFFFAOYSA-N -1 0 200.238 0.560 20 0 BCADRM C[C@]1(C(=O)O[C@@H]2CCOC2)CCN(C(=O)[O-])C1 ZINC000825685012 587332046 /nfs/dbraw/zinc/33/20/46/587332046.db2.gz OWDSTFYOBIYABG-KCJUWKMLSA-N -1 0 243.259 0.709 20 0 BCADRM CC1(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)CC1 ZINC000825685320 587332306 /nfs/dbraw/zinc/33/23/06/587332306.db2.gz XETPHPCOFNDQCU-MRVPVSSYSA-N -1 0 241.243 0.651 20 0 BCADRM CC1(C(=O)OCCCNC(=O)[O-])CC1 ZINC000825690953 587332522 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ZINC000825852569 587341752 /nfs/dbraw/zinc/34/17/52/587341752.db2.gz OSGPBVGOTGOKHI-BQBZGAKWSA-N -1 0 214.265 0.805 20 0 BCADRM C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000825858652 587342158 /nfs/dbraw/zinc/34/21/58/587342158.db2.gz CBPKXHSUUFWKFY-IWSPIJDZSA-N -1 0 242.275 0.137 20 0 BCADRM C[C@@H]1C[C@H]1NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000825861478 587342159 /nfs/dbraw/zinc/34/21/59/587342159.db2.gz UIPYKANFHDBWBP-XLDPMVHQSA-N -1 0 226.276 0.901 20 0 BCADRM C[C@@H]1C[C@H]1CNC(=O)COC1CN(C(=O)[O-])C1 ZINC000825861017 587342183 /nfs/dbraw/zinc/34/21/83/587342183.db2.gz NFYKDIPHOHVJTA-SFYZADRCSA-N -1 0 242.275 0.137 20 0 BCADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000825864813 587342463 /nfs/dbraw/zinc/34/24/63/587342463.db2.gz AQKYYQSBDCINTA-DJLDLDEBSA-N -1 0 244.291 0.668 20 0 BCADRM C[C@@H]1CC[C@H](C)N1C(=O)COCCNC(=O)[O-] ZINC000825864954 587342662 /nfs/dbraw/zinc/34/26/62/587342662.db2.gz CIPZTPVWLWKNOI-DTORHVGOSA-N -1 0 244.291 0.670 20 0 BCADRM C[C@@H]1CC[C@H](C)N1C(=O)CNC(=O)[O-] ZINC000825865885 587342670 /nfs/dbraw/zinc/34/26/70/587342670.db2.gz LRTNBIBCVDETQV-KNVOCYPGSA-N -1 0 200.238 0.653 20 0 BCADRM C[C@H]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)[O-])C2)O1 ZINC000825866507 587342806 /nfs/dbraw/zinc/34/28/06/587342806.db2.gz QKLHCKZNBSDPHE-CIUDSAMLSA-N -1 0 242.275 0.422 20 0 BCADRM C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000825867252 587343086 /nfs/dbraw/zinc/34/30/86/587343086.db2.gz VERNLRNSWALSHD-RKDXNWHRSA-N -1 0 242.275 0.376 20 0 BCADRM C[C@@H]1CC[C@@H](C(=O)OCCNC(=O)[O-])O1 ZINC000825868041 587343150 /nfs/dbraw/zinc/34/31/50/587343150.db2.gz YXOCKWLTFHKTRH-RQJHMYQMSA-N -1 0 217.221 0.365 20 0 BCADRM C[C@H]1CCC[C@H](C)N1C(=O)CONC(=O)[O-] ZINC000825886537 587344331 /nfs/dbraw/zinc/34/43/31/587344331.db2.gz IBHMWTXLRFGCLV-YUMQZZPRSA-N -1 0 230.264 0.975 20 0 BCADRM C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000825932330 587345736 /nfs/dbraw/zinc/34/57/36/587345736.db2.gz RFZAHXKUFPSUSK-RKDXNWHRSA-N -1 0 241.291 0.933 20 0 BCADRM C[C@@H]1CCCN1C(=O)C1(NC(=O)[O-])CC1 ZINC000825932669 587345861 /nfs/dbraw/zinc/34/58/61/587345861.db2.gz VYDHDMYZRWSZPQ-SSDOTTSWSA-N -1 0 212.249 0.798 20 0 BCADRM C[C@@H]1CCCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000825931943 587345936 /nfs/dbraw/zinc/34/59/36/587345936.db2.gz NSCQNFQCORJOBD-BDAKNGLRSA-N -1 0 226.276 0.997 20 0 BCADRM C[C@H]1CCCN1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000825932328 587346018 /nfs/dbraw/zinc/34/60/18/587346018.db2.gz RFZAHXKUFPSUSK-DTWKUNHWSA-N -1 0 241.291 0.933 20 0 BCADRM C[C@@H](CC(=O)N1CC[C@@H](C)C1)NC(=O)[O-] ZINC000825939590 587346346 /nfs/dbraw/zinc/34/63/46/587346346.db2.gz VWHOZODVIXNDNE-SFYZADRCSA-N -1 0 214.265 0.901 20 0 BCADRM C[C@@H]1CCN(C(=O)CCNC(=O)[O-])[C@H]1C ZINC000825937506 587346399 /nfs/dbraw/zinc/34/63/99/587346399.db2.gz JHLGJXVENGUTKS-SFYZADRCSA-N -1 0 214.265 0.901 20 0 BCADRM C[C@@H]1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000825939752 587346509 /nfs/dbraw/zinc/34/65/09/587346509.db2.gz XFTRVNBUIZEDPE-BDAKNGLRSA-N -1 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587361161 /nfs/dbraw/zinc/36/11/61/587361161.db2.gz AHQJQFRKNXAUHX-IUCAKERBSA-N -1 0 246.307 0.556 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NC[C@@H](O)C(C)C ZINC000826749727 587361203 /nfs/dbraw/zinc/36/12/03/587361203.db2.gz AHQJQFRKNXAUHX-RKDXNWHRSA-N -1 0 246.307 0.556 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NCC(F)F ZINC000826749967 587361230 /nfs/dbraw/zinc/36/12/30/587361230.db2.gz DLAQNPRCGXRZGG-YFKPBYRVSA-N -1 0 224.207 0.804 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NC[C@@H](O)C1CC1 ZINC000826750089 587361261 /nfs/dbraw/zinc/36/12/61/587361261.db2.gz GKKRMLFKONDMDR-DTWKUNHWSA-N -1 0 244.291 0.310 20 0 BCADRM CCC[C@@H](O)CNC(=O)[C@H](CC)NC(=O)[O-] ZINC000826763261 587361325 /nfs/dbraw/zinc/36/13/25/587361325.db2.gz AJLHZYXADSFCSK-SFYZADRCSA-N -1 0 232.280 0.310 20 0 BCADRM CC(C)C[C@H](OC(=O)[C@@H]1CNC(=O)C1)C(=O)[O-] ZINC000826813029 587362936 /nfs/dbraw/zinc/36/29/36/587362936.db2.gz MUPGCZZNJIFVLE-YUMQZZPRSA-N -1 0 243.259 0.165 20 0 BCADRM CC(C)C[C@H](OC(=O)[C@H]1COCCO1)C(=O)[O-] ZINC000826814969 587363322 /nfs/dbraw/zinc/36/33/22/587363322.db2.gz WEFPMTBEWYPEKU-DTWKUNHWSA-N -1 0 246.259 0.444 20 0 BCADRM CCCCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826836634 587363728 /nfs/dbraw/zinc/36/37/28/587363728.db2.gz NNYDLGXVYTWRHY-QMMMGPOBSA-N -1 0 230.264 0.282 20 0 BCADRM CCCCN(CCO)C(=O)C[C@@H](C)NC(=O)[O-] ZINC000826830639 587363730 /nfs/dbraw/zinc/36/37/30/587363730.db2.gz RKDZKCXWEOIHHJ-SECBINFHSA-N -1 0 246.307 0.654 20 0 BCADRM CCCCN(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000826829823 587363772 /nfs/dbraw/zinc/36/37/72/587363772.db2.gz JDZKSYDMJFECMK-IUCAKERBSA-N -1 0 244.291 0.358 20 0 BCADRM CCCCNC(=O)CC1CN(C(=O)[O-])C1 ZINC000826836444 587363776 /nfs/dbraw/zinc/36/37/76/587363776.db2.gz LCOCYRMVHHHWFL-UHFFFAOYSA-N -1 0 214.265 0.903 20 0 BCADRM CCCCN(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000826829824 587363813 /nfs/dbraw/zinc/36/38/13/587363813.db2.gz JDZKSYDMJFECMK-RKDXNWHRSA-N -1 0 244.291 0.358 20 0 BCADRM CC(C)CN(CC(N)=O)C(=O)[C@@H](C)CC(=O)[O-] ZINC000826870813 587364648 /nfs/dbraw/zinc/36/46/48/587364648.db2.gz AFMYWCMDUHXXLJ-QMMMGPOBSA-N -1 0 244.291 0.067 20 0 BCADRM CCCNC(=O)CN1CCC[C@@H]1CNC(=O)[O-] ZINC000826925095 587365703 /nfs/dbraw/zinc/36/57/03/587365703.db2.gz BKPXENIEVNADQZ-SECBINFHSA-N -1 0 243.307 0.245 20 0 BCADRM CCCNC(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000826925956 587365797 /nfs/dbraw/zinc/36/57/97/587365797.db2.gz PFQIZMFXKCYSFB-SECBINFHSA-N -1 0 243.307 0.197 20 0 BCADRM CCCOC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826931212 587365876 /nfs/dbraw/zinc/36/58/76/587365876.db2.gz LZWIRPMZVPKFRX-SSDOTTSWSA-N -1 0 217.221 0.318 20 0 BCADRM CC(C)N(C)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000826930512 587365877 /nfs/dbraw/zinc/36/58/77/587365877.db2.gz TUKKYSVIASKYRY-UHFFFAOYSA-N -1 0 240.263 0.840 20 0 BCADRM CCCOCC(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826934557 587366099 /nfs/dbraw/zinc/36/60/99/587366099.db2.gz FGMAZWYUJJSKJO-SECBINFHSA-N -1 0 244.291 0.624 20 0 BCADRM CCCOCC(=O)NCC(C)(C)NC(=O)[O-] ZINC000826934275 587366110 /nfs/dbraw/zinc/36/61/10/587366110.db2.gz AMTBPDXWPZDSRC-UHFFFAOYSA-N -1 0 232.280 0.575 20 0 BCADRM CCCn1cc(NC(=O)[C@@H](C)NC(=O)[O-])cn1 ZINC000826958071 587366860 /nfs/dbraw/zinc/36/68/60/587366860.db2.gz DANVBCZBZVFYBR-SSDOTTSWSA-N -1 0 240.263 0.888 20 0 BCADRM CCN(C)C(=O)NCC(C)(C)NC(=O)[O-] ZINC000826988218 587367155 /nfs/dbraw/zinc/36/71/55/587367155.db2.gz AWDAVYSUCSJOLT-UHFFFAOYSA-N -1 0 217.269 0.694 20 0 BCADRM CCN(C)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826983307 587367163 /nfs/dbraw/zinc/36/71/63/587367163.db2.gz LGFBGADQLRTWHB-SFYZADRCSA-N -1 0 214.265 0.901 20 0 BCADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)C1CC1 ZINC000826995754 587367390 /nfs/dbraw/zinc/36/73/90/587367390.db2.gz MXNNUBMPUBHWQE-SECBINFHSA-N -1 0 229.276 0.733 20 0 BCADRM CCN(CC(=O)N1CCC[C@@H]1COC)C(=O)[O-] ZINC000826996797 587367520 /nfs/dbraw/zinc/36/75/20/587367520.db2.gz KMADFRFHEPSYPA-SECBINFHSA-N -1 0 244.291 0.624 20 0 BCADRM CCN(CC(=O)NCC(F)F)C(=O)[O-] ZINC000827003018 587367722 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GTENIMVCKYIZEL-UHFFFAOYSA-N -1 0 222.200 0.862 20 0 BCADRM CCCOC(=O)COCCNC(=O)[O-] ZINC000739364451 602676732 /nfs/dbraw/zinc/67/67/32/602676732.db2.gz AEPHBQUVYXKCBQ-UHFFFAOYSA-N -1 0 205.210 0.224 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCCOC1 ZINC000739316547 602677130 /nfs/dbraw/zinc/67/71/30/602677130.db2.gz VSYOJFNACBMOCV-RKDXNWHRSA-N -1 0 244.291 0.718 20 0 BCADRM O=C([O-])N1CCC[C@H]1C(=O)N[C@H]1CCCOC1 ZINC000740396280 602677243 /nfs/dbraw/zinc/67/72/43/602677243.db2.gz GKEKUZJUGVXZCT-IUCAKERBSA-N -1 0 242.275 0.424 20 0 BCADRM O=C([O-])N1CCC[C@@H]1C(=O)N[C@@H]1CCCOC1 ZINC000740396281 602677272 /nfs/dbraw/zinc/67/72/72/602677272.db2.gz GKEKUZJUGVXZCT-RKDXNWHRSA-N -1 0 242.275 0.424 20 0 BCADRM O=C([O-])N1CCC[C@@H]1C(=O)N[C@H]1CCCOC1 ZINC000740396278 602677395 /nfs/dbraw/zinc/67/73/95/602677395.db2.gz GKEKUZJUGVXZCT-DTWKUNHWSA-N -1 0 242.275 0.424 20 0 BCADRM Cn1cc(C(=O)O[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000740288364 602679077 /nfs/dbraw/zinc/67/90/77/602679077.db2.gz 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244.272 0.999 20 0 BCADRM CCCNC(=S)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739367315 602713059 /nfs/dbraw/zinc/71/30/59/602713059.db2.gz SRTAFADDSKFBLZ-QMMMGPOBSA-N -1 0 245.348 0.955 20 0 BCADRM CCNC(=S)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739464525 602713188 /nfs/dbraw/zinc/71/31/88/602713188.db2.gz GGDOFIFAWPVNLS-ZETCQYMHSA-N -1 0 231.321 0.565 20 0 BCADRM CO[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739797284 602714437 /nfs/dbraw/zinc/71/44/37/602714437.db2.gz WCMCZUNLEXBGIC-JGVFFNPUSA-N -1 0 230.264 0.232 20 0 BCADRM NC(=O)CN(Cc1ccccc1)C(=O)[O-] ZINC000090469776 602718597 /nfs/dbraw/zinc/71/85/97/602718597.db2.gz SBYWBSRSYKFDAE-UHFFFAOYSA-N -1 0 208.217 0.652 20 0 BCADRM CC[C@@H](OC)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739276647 602719780 /nfs/dbraw/zinc/71/97/80/602719780.db2.gz IMPKWZYBZXEMPE-DTWKUNHWSA-N -1 0 244.291 0.622 20 0 BCADRM COC[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000739800114 602721291 /nfs/dbraw/zinc/72/12/91/602721291.db2.gz CNBUOEKFZWLZHF-DTWKUNHWSA-N -1 0 244.291 0.480 20 0 BCADRM C/C=C\C(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739205475 602722023 /nfs/dbraw/zinc/72/20/23/602722023.db2.gz GJXSUGPMEGLEBG-VEMNSZJBSA-N -1 0 212.249 0.773 20 0 BCADRM CC(C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000738761388 602722892 /nfs/dbraw/zinc/72/28/92/602722892.db2.gz BGVHMSDOKIRDCK-QMMMGPOBSA-N -1 0 214.265 0.853 20 0 BCADRM O=C([O-])N[C@H]1CCCN(C(=O)c2cc[nH]c2)C1 ZINC000738655786 602724177 /nfs/dbraw/zinc/72/41/77/602724177.db2.gz OWQZJIOAIPLHGW-VIFPVBQESA-N -1 0 237.259 0.887 20 0 BCADRM CCC[C@@](C)(O)CNC(=O)NCCNC(=O)[O-] ZINC000739298812 602725069 /nfs/dbraw/zinc/72/50/69/602725069.db2.gz GFGNEDIMHCOBOD-SNVBAGLBSA-N -1 0 247.295 0.104 20 0 BCADRM CCCCN(CCOC)C(=O)[C@@H](C)NC(=O)[O-] ZINC000739333411 602727870 /nfs/dbraw/zinc/72/78/70/602727870.db2.gz LGPICNHQZVRVIP-SECBINFHSA-N -1 0 246.307 0.918 20 0 BCADRM CCN(C)C(=O)NCCN(CC)C(=O)[O-] ZINC000739380954 602731480 /nfs/dbraw/zinc/73/14/80/602731480.db2.gz QYCKWHWOAGGQOG-UHFFFAOYSA-N -1 0 217.269 0.648 20 0 BCADRM 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CCC(=O)[C@H](C)OC(=O)CN(CC)C(=O)[O-] ZINC000739211268 602812710 /nfs/dbraw/zinc/81/27/10/602812710.db2.gz OFFOHCUNVJKGLM-ZETCQYMHSA-N -1 0 231.248 0.897 20 0 BCADRM CCN(CC(=O)OC[C@@H]1CCOC1)C(=O)[O-] ZINC000739405000 602813468 /nfs/dbraw/zinc/81/34/68/602813468.db2.gz BDYLXFHYTNBGPH-MRVPVSSYSA-N -1 0 231.248 0.566 20 0 BCADRM CC[C@@H](COC)NC(=O)CN(CC)C(=O)[O-] ZINC000739258585 602816958 /nfs/dbraw/zinc/81/69/58/602816958.db2.gz UQZPWCNKHLYJAC-QMMMGPOBSA-N -1 0 232.280 0.528 20 0 BCADRM CCN(CC)C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739402703 602821134 /nfs/dbraw/zinc/82/11/34/602821134.db2.gz KXHOUCJZOGUMKM-QMMMGPOBSA-N -1 0 230.264 0.234 20 0 BCADRM C/C=C\C(=O)NCCCN(C)C(=O)[O-] ZINC000739206976 602824374 /nfs/dbraw/zinc/82/43/74/602824374.db2.gz NGVIXUTVTUYVQI-HYXAFXHYSA-N -1 0 200.238 0.679 20 0 BCADRM C[C@@H](NC(=O)[C@H]1COCCN1C(=O)[O-])C1CC1 ZINC000738960561 602827447 /nfs/dbraw/zinc/82/74/47/602827447.db2.gz VTCYJZGAARRSIY-VXNVDRBHSA-N -1 0 242.275 0.280 20 0 BCADRM 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CC(C)(C(=O)NC1(c2nnn[n-]2)CC1)C1CC1 ZINC000356770468 387718131 /nfs/dbraw/zinc/71/81/31/387718131.db2.gz MJMPIAKTYOELHK-UHFFFAOYSA-N -1 0 235.291 0.741 20 0 BCADRM O=C([O-])NCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000367532634 387721822 /nfs/dbraw/zinc/72/18/22/387721822.db2.gz CIGHHWCSFDJMMW-RKDXNWHRSA-N -1 0 242.275 0.424 20 0 BCADRM C[C@H](NC(=O)c1ccc2cc[nH]c2n1)C(=O)[O-] ZINC000431643974 387724669 /nfs/dbraw/zinc/72/46/69/387724669.db2.gz FOYJFDOMOABBAF-LURJTMIESA-N -1 0 233.227 0.766 20 0 BCADRM CO[C@H](C)CC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000377569174 387730505 /nfs/dbraw/zinc/73/05/05/387730505.db2.gz VECXNDCHRLBYCZ-BDAKNGLRSA-N -1 0 245.275 0.114 20 0 BCADRM CC(C)=CC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000129437921 387769388 /nfs/dbraw/zinc/76/93/88/387769388.db2.gz XEWNNJBVJBGBBU-VIFPVBQESA-N -1 0 235.291 0.872 20 0 BCADRM O=C([O-])CCCS(=O)(=O)NCc1ccco1 ZINC000019982516 387826062 /nfs/dbraw/zinc/82/60/62/387826062.db2.gz NJKCQIYGDOVXHM-UHFFFAOYSA-N -1 0 247.272 0.564 20 0 BCADRM 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CC[C@H](CO)NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424401626 388003883 /nfs/dbraw/zinc/00/38/83/388003883.db2.gz DFTFHWJACWXLSN-MRVPVSSYSA-N -1 0 246.307 0.557 20 0 BCADRM CO[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000160886829 388006973 /nfs/dbraw/zinc/00/69/73/388006973.db2.gz VMKCQDHBLZNPNU-ZETCQYMHSA-N -1 0 215.249 0.345 20 0 BCADRM C[C@H](CC(=O)[O-])NC(=O)CCc1ccncc1 ZINC000082243878 388017689 /nfs/dbraw/zinc/01/76/89/388017689.db2.gz ZJOIUKNUPXCBFN-SECBINFHSA-N -1 0 236.271 0.994 20 0 BCADRM CO[C@H](C)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000160899871 388018296 /nfs/dbraw/zinc/01/82/96/388018296.db2.gz KEEQADBWQGVNTI-IYSWYEEDSA-N -1 0 201.222 0.001 20 0 BCADRM C[C@H](CNC(=O)[C@]1(C)CCCO1)C(=O)[O-] ZINC000087229662 135112393 /nfs/dbraw/zinc/11/23/93/135112393.db2.gz ZKFCCYIXFNFEHW-XCBNKYQSSA-N -1 0 215.249 0.392 20 0 BCADRM Cc1cc(C(=O)NCCCCC(=O)[O-])[nH]n1 ZINC000069906534 177782341 /nfs/dbraw/zinc/78/23/41/177782341.db2.gz REHFCLZPLDRSOT-UHFFFAOYSA-N -1 0 225.248 0.703 20 0 BCADRM 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225.244 0.145 20 0 BCADRM COC[C@H](C)CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000045694707 411148567 /nfs/dbraw/zinc/14/85/67/411148567.db2.gz BYJYXMZZNNOFBD-PRJMDXOYSA-N -1 0 215.249 0.106 20 0 BCADRM C[C@H](CNC(=O)NCCC1(O)CCC1)C(=O)[O-] ZINC000655875696 411151724 /nfs/dbraw/zinc/15/17/24/411151724.db2.gz IKWCRQKAHRMZMN-MRVPVSSYSA-N -1 0 244.291 0.311 20 0 BCADRM CO[C@@H](C)[C@@H](C)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655878055 411151778 /nfs/dbraw/zinc/15/17/78/411151778.db2.gz GWNZSRWOXUAHKY-RNJXMRFFSA-N -1 0 232.280 0.430 20 0 BCADRM C[C@@H](CO)CCCNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655872868 411151864 /nfs/dbraw/zinc/15/18/64/411151864.db2.gz RPBYSSXMVKCNQR-RKDXNWHRSA-N -1 0 246.307 0.415 20 0 BCADRM C[C@@H](CNC(=O)NCC1(C)COC1)C(=O)[O-] ZINC000655866365 411151927 /nfs/dbraw/zinc/15/19/27/411151927.db2.gz AVUWDERUPRABAI-ZETCQYMHSA-N -1 0 230.264 0.043 20 0 BCADRM C[C@H](CF)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655881175 411152328 /nfs/dbraw/zinc/15/23/28/411152328.db2.gz 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/nfs/dbraw/zinc/15/25/10/411152510.db2.gz DONCIWQUFHZQAS-CSMHCCOUSA-N -1 0 244.316 0.606 20 0 BCADRM CC[C@@H]1CCN1C(=O)NC[C@H](C)C(=O)[O-] ZINC000655881253 411153010 /nfs/dbraw/zinc/15/30/10/411153010.db2.gz JUCQXELKMMGBST-JGVFFNPUSA-N -1 0 214.265 0.901 20 0 BCADRM C[C@H](CCCCO)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655881701 411153051 /nfs/dbraw/zinc/15/30/51/411153051.db2.gz PMXRUMQUJATRHC-DTWKUNHWSA-N -1 0 246.307 0.557 20 0 BCADRM C[C@@H](CNC(=O)N(C)C[C@H](O)C1CC1)C(=O)[O-] ZINC000655883956 411153578 /nfs/dbraw/zinc/15/35/78/411153578.db2.gz BJWMQPQJCPQUJX-CBAPKCEASA-N -1 0 244.291 0.119 20 0 BCADRM CCC(O)(CC)CNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655886638 411153603 /nfs/dbraw/zinc/15/36/03/411153603.db2.gz GHKIIKSVNNWYKT-MRVPVSSYSA-N -1 0 246.307 0.557 20 0 BCADRM C[C@H](CNC(=O)N[C@@H]1C[C@@H](O)C1(C)C)C(=O)[O-] ZINC000655884524 411153822 /nfs/dbraw/zinc/15/38/22/411153822.db2.gz MNMYTJPUDMHGSH-BWZBUEFSSA-N -1 0 244.291 0.166 20 0 BCADRM CCC[C@](C)(CO)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655884435 411153834 /nfs/dbraw/zinc/15/38/34/411153834.db2.gz GKURTPRQZUGMMP-LDYMZIIASA-N -1 0 246.307 0.557 20 0 BCADRM C[C@H](CNC(=O)N1CCC[C@]1(C)CO)C(=O)[O-] ZINC000655884193 411153905 /nfs/dbraw/zinc/15/39/05/411153905.db2.gz JWFAXXYYIQQALC-LDYMZIIASA-N -1 0 244.291 0.264 20 0 BCADRM C[C@H](CNC(=O)N[C@H]1CC[C@@H](CO)C1)C(=O)[O-] ZINC000655882217 411154036 /nfs/dbraw/zinc/15/40/36/411154036.db2.gz UNNXHKHKTNMDOI-HLTSFMKQSA-N -1 0 244.291 0.167 20 0 BCADRM CC(C)[C@@H](O)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655885491 411154650 /nfs/dbraw/zinc/15/46/50/411154650.db2.gz QJZYOJWSGCNDNM-YUMQZZPRSA-N -1 0 232.280 0.023 20 0 BCADRM C[C@H](CNC(=O)NC1(CO)CCCC1)C(=O)[O-] ZINC000655887078 411154821 /nfs/dbraw/zinc/15/48/21/411154821.db2.gz IKOOKBMQHZAHEM-MRVPVSSYSA-N -1 0 244.291 0.311 20 0 BCADRM CC[C@H]1CN(c2ncccc2C(=O)[O-])C[C@H]1O ZINC000400470986 411154837 /nfs/dbraw/zinc/15/48/37/411154837.db2.gz XINFHWURLOAJJP-WCBMZHEXSA-N -1 0 236.271 0.987 20 0 BCADRM CC[C@@H](OC)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655567993 411154956 /nfs/dbraw/zinc/15/49/56/411154956.db2.gz BYGIGVSQRQTFJM-RKDXNWHRSA-N -1 0 231.292 0.884 20 0 BCADRM CCC[C@@H](O)CNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655887026 411155137 /nfs/dbraw/zinc/15/51/37/411155137.db2.gz KBDQYNTWGBNGCI-HTQZYQBOSA-N -1 0 232.280 0.167 20 0 BCADRM C[C@@H](CNC(=O)N1CC(F)C1)C(=O)[O-] ZINC000655890085 411155142 /nfs/dbraw/zinc/15/51/42/411155142.db2.gz ZCZUYYVEEWRXBT-YFKPBYRVSA-N -1 0 204.201 0.070 20 0 BCADRM CC(C)[C@H](CNC(=O)NC[C@@H](C)O)C(=O)[O-] ZINC000655896476 411155487 /nfs/dbraw/zinc/15/54/87/411155487.db2.gz GHGWDLVCBTZUMB-SFYZADRCSA-N -1 0 232.280 0.023 20 0 BCADRM CC(C)[C@H](CNC(=O)N[C@H](C)CO)C(=O)[O-] ZINC000655894030 411155567 /nfs/dbraw/zinc/15/55/67/411155567.db2.gz USVAGRMQXHWLQO-SFYZADRCSA-N -1 0 232.280 0.023 20 0 BCADRM CC(C)[C@@H](CNC(=O)COCC1CC1)C(=O)[O-] ZINC000655569706 411156208 /nfs/dbraw/zinc/15/62/08/411156208.db2.gz LDUGEQKEFGBLSN-SNVBAGLBSA-N -1 0 243.303 0.886 20 0 BCADRM CCN(CCO)C(=O)NCCCCC(=O)[O-] ZINC000069732077 411158932 /nfs/dbraw/zinc/15/89/32/411158932.db2.gz MJYBEWUKPXQDBD-UHFFFAOYSA-N -1 0 232.280 0.265 20 0 BCADRM C[C@@H](O)CN(C)C(=O)NCCCCC(=O)[O-] ZINC000069732116 411159362 /nfs/dbraw/zinc/15/93/62/411159362.db2.gz KHOZRSQKBYMCCC-MRVPVSSYSA-N -1 0 232.280 0.264 20 0 BCADRM CO[C@H](CC(=O)NCC(=O)[O-])C(F)(F)F ZINC000652052015 411097254 /nfs/dbraw/zinc/09/72/54/411097254.db2.gz YJCAXLKXAIFQJW-SCSAIBSYSA-N -1 0 229.154 0.155 20 0 BCADRM CCc1nc([N-]S(C)(=O)=O)sc1C ZINC000070227427 411161468 /nfs/dbraw/zinc/16/14/68/411161468.db2.gz GUPRINCINRETLZ-UHFFFAOYSA-N -1 0 220.319 1.385 20 0 BCADRM CC[C@H]1C(=O)NCCN1c1ccnc(C(=O)[O-])c1 ZINC000110690677 411118074 /nfs/dbraw/zinc/11/80/74/411118074.db2.gz CDQGIESZPBYNEC-JTQLQIEISA-N -1 0 249.270 0.495 20 0 BCADRM CO[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652123161 411122197 /nfs/dbraw/zinc/12/21/97/411122197.db2.gz AILQNTIDUVMRGT-FKTZTGRPSA-N -1 0 241.287 0.591 20 0 BCADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@H]2C[C@H]2C)C1 ZINC000653667609 411162507 /nfs/dbraw/zinc/16/25/07/411162507.db2.gz CZPILCIMYSIWIQ-KYXWUPHJSA-N -1 0 241.287 0.733 20 0 BCADRM COC[C@H](CNc1ccc(C(=O)[O-])cn1)OC ZINC000300566397 411124101 /nfs/dbraw/zinc/12/41/01/411124101.db2.gz HLRUMVWQURCDCD-VIFPVBQESA-N -1 0 240.259 0.853 20 0 BCADRM COC[C@H](CNc1cncc(C(=O)[O-])n1)OC ZINC000300586896 411124351 /nfs/dbraw/zinc/12/43/51/411124351.db2.gz YSMYPJDKEHQYTK-ZETCQYMHSA-N -1 0 241.247 0.248 20 0 BCADRM Cc1nccc(C(=O)N(CC(=O)[O-])C2CCC2)n1 ZINC000655592968 411170178 /nfs/dbraw/zinc/17/01/78/411170178.db2.gz UBOOSLPNSXQZAT-UHFFFAOYSA-N -1 0 249.270 0.864 20 0 BCADRM O=C([O-])CN(C(=O)C[C@@H]1CCOC1)C1CCC1 ZINC000655594847 411170239 /nfs/dbraw/zinc/17/02/39/411170239.db2.gz WYZWRDBGBMWBIY-VIFPVBQESA-N -1 0 241.287 0.879 20 0 BCADRM O=C([O-])CN(C(=O)C1CCOCC1)C1CCC1 ZINC000655594667 411170700 /nfs/dbraw/zinc/17/07/00/411170700.db2.gz DLHXGLLUKDDUOT-UHFFFAOYSA-N -1 0 241.287 0.879 20 0 BCADRM 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0.764 20 0 BCADRM CCN(CC)C(=O)N[C@@H](CCF)C(=O)[O-] ZINC000656165715 411190358 /nfs/dbraw/zinc/19/03/58/411190358.db2.gz YYPMGEFQGLWNIG-ZETCQYMHSA-N -1 0 220.244 0.851 20 0 BCADRM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@@H]1CCOC1 ZINC000401320032 411191426 /nfs/dbraw/zinc/19/14/26/411191426.db2.gz IQNDFTSUZVAAMN-DTWKUNHWSA-N -1 0 229.276 0.735 20 0 BCADRM Cc1noc([N-]C(=O)c2cnns2)n1 ZINC000048700095 411209778 /nfs/dbraw/zinc/20/97/78/411209778.db2.gz ZGCRWKIDCQNODV-UHFFFAOYSA-N -1 0 211.206 0.482 20 0 BCADRM O=C(NCCC1=CCCCC1)c1n[nH]c(=O)[n-]1 ZINC000048722624 411212470 /nfs/dbraw/zinc/21/24/70/411212470.db2.gz ABZRCMKEUNPXAE-UHFFFAOYSA-N -1 0 236.275 0.718 20 0 BCADRM CC[C@@H](N=c1nn[n-]n1C)[C@@H]1CCCCO1 ZINC000656228794 411214179 /nfs/dbraw/zinc/21/41/79/411214179.db2.gz RLDGVMWDANZTLP-BDAKNGLRSA-N -1 0 225.296 0.392 20 0 BCADRM CC[C@@H](N=c1nn[n-]n1C)[C@H]1CCCCO1 ZINC000656228800 411214340 /nfs/dbraw/zinc/21/43/40/411214340.db2.gz RLDGVMWDANZTLP-RKDXNWHRSA-N -1 0 225.296 0.392 20 0 BCADRM O=C([O-])[C@H]1COCCN1CCc1cncs1 ZINC000652358695 411216347 /nfs/dbraw/zinc/21/63/47/411216347.db2.gz AGMCJWVDLMWSRB-SECBINFHSA-N -1 0 242.300 0.471 20 0 BCADRM O=C([O-])[C@@H]1COCCN1CCc1cncs1 ZINC000652358696 411216866 /nfs/dbraw/zinc/21/68/66/411216866.db2.gz AGMCJWVDLMWSRB-VIFPVBQESA-N -1 0 242.300 0.471 20 0 BCADRM C=CCCCS(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC000309718014 411218836 /nfs/dbraw/zinc/21/88/36/411218836.db2.gz ZOHLRLOPYZCVGH-UHFFFAOYSA-N -1 0 247.316 0.831 20 0 BCADRM C[C@H](CNC(=O)c1ccnn1C(F)F)C(=O)[O-] ZINC000659768302 411219198 /nfs/dbraw/zinc/21/91/98/411219198.db2.gz WQKIJGGMCBDUTJ-RXMQYKEDSA-N -1 0 247.201 0.729 20 0 BCADRM C[C@@H](CNC(=O)c1ccnn1C(F)F)C(=O)[O-] ZINC000659768303 411219230 /nfs/dbraw/zinc/21/92/30/411219230.db2.gz WQKIJGGMCBDUTJ-YFKPBYRVSA-N -1 0 247.201 0.729 20 0 BCADRM CCN(C(=O)[C@@H](C)OC)[C@H](C)C(=O)[O-] ZINC000659772731 411225405 /nfs/dbraw/zinc/22/54/05/411225405.db2.gz QOGMPATYRYUGRK-RNFRBKRXSA-N -1 0 203.238 0.343 20 0 BCADRM CCN(C(=O)c1ccnn1C)[C@H](C)C(=O)[O-] ZINC000659772808 411225435 /nfs/dbraw/zinc/22/54/35/411225435.db2.gz RSLZBMGXHBPSSR-SSDOTTSWSA-N -1 0 225.248 0.355 20 0 BCADRM CC(=O)c1c[nH]c(C(=O)N(C)[C@@H](C)C(=O)[O-])c1 ZINC000054051338 411232220 /nfs/dbraw/zinc/23/22/20/411232220.db2.gz RODZRYUUFKNETI-LURJTMIESA-N -1 0 238.243 0.762 20 0 BCADRM CCN(C(=O)C1CCOCC1)[C@@H](C)C(=O)[O-] ZINC000659777295 411241678 /nfs/dbraw/zinc/24/16/78/411241678.db2.gz XRJSYYNQMZHQCM-QMMMGPOBSA-N -1 0 229.276 0.735 20 0 BCADRM CC/C=C(/C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043700646 167827018 /nfs/dbraw/zinc/82/70/18/167827018.db2.gz RTTLEDANGSXRKT-OTOXVQDCSA-N -1 0 227.260 0.655 20 0 BCADRM C[C@@H](C(=O)[O-])C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000655589124 411166313 /nfs/dbraw/zinc/16/63/13/411166313.db2.gz MIRPFYVYJLZUIA-GGVZMXCHSA-N -1 0 249.266 0.482 20 0 BCADRM CC/C=C(\C)C(=O)N[C@@H](CCOC)C(=O)[O-] ZINC000211236951 167835535 /nfs/dbraw/zinc/83/55/35/167835535.db2.gz MEBSEBFZBZPNLI-QRJSTWQJSA-N -1 0 229.276 0.949 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CC[C@@H](O)CNC(=O)NCCCCCC(=O)[O-] ZINC000659404509 411412030 /nfs/dbraw/zinc/41/20/30/411412030.db2.gz CWPWUXBGOSAWOZ-SECBINFHSA-N -1 0 246.307 0.702 20 0 BCADRM O=C([O-])CCCNC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000659405993 411412105 /nfs/dbraw/zinc/41/21/05/411412105.db2.gz IMJLBAWJGMMSSH-RKDXNWHRSA-N -1 0 226.276 0.903 20 0 BCADRM C[C@H](CNC(=O)N[C@]12C[C@H]1CCC2)C(=O)[O-] ZINC000659411985 411412281 /nfs/dbraw/zinc/41/22/81/411412281.db2.gz PDMFREAZUKBGPW-SOCHQFKDSA-N -1 0 226.276 0.949 20 0 BCADRM CC(C)(CCNC(=O)NC/C=C/CO)C(=O)[O-] ZINC000659409115 411412523 /nfs/dbraw/zinc/41/25/23/411412523.db2.gz YWPDCMMGEQFLQZ-ONEGZZNKSA-N -1 0 244.291 0.335 20 0 BCADRM COCCCC(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC000659214551 411416135 /nfs/dbraw/zinc/41/61/35/411416135.db2.gz HQVMDBSNGDETGU-JTQLQIEISA-N -1 0 235.255 0.732 20 0 BCADRM COc1cccc(C([O-])=CS(C)(=O)=O)c1 ZINC000052788625 411417091 /nfs/dbraw/zinc/41/70/91/411417091.db2.gz PUGJWEGQLOLIJU-UHFFFAOYSA-N -1 0 228.269 0.923 20 0 BCADRM 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CO[C@@H](CSc1n[nH]c(=O)[n-]1)[C@H]1CCOC1 ZINC000657257618 411431006 /nfs/dbraw/zinc/43/10/06/411431006.db2.gz WPRIBUKWRSQLBK-BQBZGAKWSA-N -1 0 245.304 0.654 20 0 BCADRM C=C(C)C[C@H](NC(=O)COCCOC)C(=O)[O-] ZINC000059960715 411431499 /nfs/dbraw/zinc/43/14/99/411431499.db2.gz MPXSNDJWWHKRMF-VIFPVBQESA-N -1 0 245.275 0.185 20 0 BCADRM C[C@@H](CNC(=O)NCCOCC(=O)[O-])C1CC1 ZINC000126528263 411442813 /nfs/dbraw/zinc/44/28/13/411442813.db2.gz FYRGJCQJMGWSNB-QMMMGPOBSA-N -1 0 244.291 0.433 20 0 BCADRM CCC[C@@H]1CCN(S(C)(=O)=O)[C@@H]1C(=O)[O-] ZINC000654778165 411443882 /nfs/dbraw/zinc/44/38/82/411443882.db2.gz BISJFCHRPNXHFF-SFYZADRCSA-N -1 0 235.305 0.521 20 0 BCADRM O=C([O-])[C@@H](CF)NC(=O)N[C@H]1C=CCCC1 ZINC000654802343 411448111 /nfs/dbraw/zinc/44/81/11/411448111.db2.gz NMJRVXWJYUPDOM-JGVFFNPUSA-N -1 0 230.239 0.817 20 0 BCADRM C[C@@]1(CNC(=O)N[C@H](CF)C(=O)[O-])CCCO1 ZINC000654802684 411448546 /nfs/dbraw/zinc/44/85/46/411448546.db2.gz YOVONVBIXDJNCD-XCBNKYQSSA-N -1 0 248.254 0.277 20 0 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CC(C)[C@@H](CCO)NC(=O)[C@@H](C)NC(=O)[O-] ZINC000824110425 587256154 /nfs/dbraw/zinc/25/61/54/587256154.db2.gz JTCXLLOVKJAWTR-HTQZYQBOSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N(C)CC(C)(C)O ZINC000824129458 587257148 /nfs/dbraw/zinc/25/71/48/587257148.db2.gz OSZJVALVNUVGCF-MRVPVSSYSA-N -1 0 246.307 0.508 20 0 BCADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCCF ZINC000824135717 587257450 /nfs/dbraw/zinc/25/74/50/587257450.db2.gz GSLPRFPUMRLABX-ZETCQYMHSA-N -1 0 220.244 0.754 20 0 BCADRM CC(C)[C@H](O)CNC(=O)CC(C)(C)NC(=O)[O-] ZINC000824149124 587258403 /nfs/dbraw/zinc/25/84/03/587258403.db2.gz CMINSWURLCUTPQ-MRVPVSSYSA-N -1 0 246.307 0.556 20 0 BCADRM CC(C)CC(=O)OC1CN(C(=O)[O-])C1 ZINC000824171403 587259338 /nfs/dbraw/zinc/25/93/38/587259338.db2.gz ZQCLSPCAVSBOHH-UHFFFAOYSA-N -1 0 201.222 0.938 20 0 BCADRM CCC[C@@H](CC)C(=O)NCC(=O)[N-]OCC ZINC000824220537 587261483 /nfs/dbraw/zinc/26/14/83/587261483.db2.gz UKWMAIOZVBVPPR-SECBINFHSA-N -1 0 230.308 0.997 20 0 BCADRM CC(C)CNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000824262832 587263699 /nfs/dbraw/zinc/26/36/99/587263699.db2.gz JVHKHNDFCCEOMT-JTQLQIEISA-N -1 0 232.255 0.851 20 0 BCADRM CC(C)CNC(=O)C1(NC(=O)[O-])CC1 ZINC000824262856 587263736 /nfs/dbraw/zinc/26/37/36/587263736.db2.gz KBJBQBISBLEKOY-UHFFFAOYSA-N -1 0 200.238 0.559 20 0 BCADRM CC(C)N(C)C(=O)CC1CN(C(=O)[O-])C1 ZINC000824323999 587266273 /nfs/dbraw/zinc/26/62/73/587266273.db2.gz OVPVFDLWNWRGJJ-UHFFFAOYSA-N -1 0 214.265 0.853 20 0 BCADRM CC(C)[N@H+](C)CC(=O)NCC(C)(C)NC(=O)[O-] ZINC000824330266 587266391 /nfs/dbraw/zinc/26/63/91/587266391.db2.gz XEZIBKFLIQDXMH-UHFFFAOYSA-N -1 0 245.323 0.489 20 0 BCADRM CC(C)N(C)C(=O)NCCN(C)C(=O)[O-] ZINC000824324697 587266507 /nfs/dbraw/zinc/26/65/07/587266507.db2.gz ZMFFHUILQBKVTE-UHFFFAOYSA-N -1 0 217.269 0.646 20 0 BCADRM CC(C)N(C(=O)NCCNC(=O)[O-])C1CC1 ZINC000824323763 587266545 /nfs/dbraw/zinc/26/65/45/587266545.db2.gz KPABYJLTBUFLEK-UHFFFAOYSA-N -1 0 229.280 0.836 20 0 BCADRM CC(C)[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 ZINC000824337762 587266814 /nfs/dbraw/zinc/26/68/14/587266814.db2.gz FZETWUJAJAGONO-MRVPVSSYSA-N -1 0 249.278 0.086 20 0 BCADRM CC(C)OC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000824389401 587268521 /nfs/dbraw/zinc/26/85/21/587268521.db2.gz WSEGXYQTUCGGRW-SSDOTTSWSA-N -1 0 217.221 0.317 20 0 BCADRM CC(C)NC(=S)NCC(C)(C)NC(=O)[O-] ZINC000824383044 587268795 /nfs/dbraw/zinc/26/87/95/587268795.db2.gz WZLLNDZILRRHMT-UHFFFAOYSA-N -1 0 233.337 0.905 20 0 BCADRM CC(C)OCC(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824393713 587269043 /nfs/dbraw/zinc/26/90/43/587269043.db2.gz LIRAJYLNGVMTND-SECBINFHSA-N -1 0 244.291 0.622 20 0 BCADRM C[C@@H](CC(=O)N(C)[C@@H]1CCOC1)NC(=O)[O-] ZINC000824549501 587275278 /nfs/dbraw/zinc/27/52/78/587275278.db2.gz BIFVHWHUDWGIJY-JGVFFNPUSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@@H](CC(=O)N(C)C[C@H](O)C1CC1)NC(=O)[O-] ZINC000824550035 587275488 /nfs/dbraw/zinc/27/54/88/587275488.db2.gz DSIZKYZYWQLXRO-CBAPKCEASA-N -1 0 244.291 0.262 20 0 BCADRM C[C@@H](CC(=O)N(C)CC1CC1)NC(=O)[O-] ZINC000824550610 587276042 /nfs/dbraw/zinc/27/60/42/587276042.db2.gz GPTCPQVAXFFWFV-ZETCQYMHSA-N -1 0 214.265 0.901 20 0 BCADRM C[C@H](CC(=O)N1CCC(O)CC1)NC(=O)[O-] ZINC000824573666 587277062 /nfs/dbraw/zinc/27/70/62/587277062.db2.gz VDRNJXALQHBWJW-SSDOTTSWSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@H](CC(=O)N1CCCO[C@@H](C)C1)NC(=O)[O-] ZINC000824590489 587278389 /nfs/dbraw/zinc/27/83/89/587278389.db2.gz LHHADOGOZFBQJD-BDAKNGLRSA-N -1 0 244.291 0.670 20 0 BCADRM C[C@@H](CC(=O)N1CCCO[C@@H](C)C1)NC(=O)[O-] ZINC000824590495 587278467 /nfs/dbraw/zinc/27/84/67/587278467.db2.gz LHHADOGOZFBQJD-IUCAKERBSA-N -1 0 244.291 0.670 20 0 BCADRM C[C@H](CC(=O)N[C@@H](C)C1CC1)NC(=O)[O-] ZINC000824604027 587278895 /nfs/dbraw/zinc/27/88/95/587278895.db2.gz AEQPMSPICRVRFA-RQJHMYQMSA-N -1 0 214.265 0.947 20 0 BCADRM C[C@@H](CC(=O)N1CCOCC1(C)C)NC(=O)[O-] ZINC000824600344 587279112 /nfs/dbraw/zinc/27/91/12/587279112.db2.gz XFCLUKMCAWHQDQ-QMMMGPOBSA-N -1 0 244.291 0.670 20 0 BCADRM C[C@H](CC(=O)N[C@H](C)[C@H](C)CO)NC(=O)[O-] ZINC000824607266 587279215 /nfs/dbraw/zinc/27/92/15/587279215.db2.gz WRKMWOPAAHSUJO-BWZBUEFSSA-N -1 0 232.280 0.166 20 0 BCADRM C[C@@H](CC(=O)NC1CC=CC1)NC(=O)[O-] ZINC000824615555 587279242 /nfs/dbraw/zinc/27/92/42/587279242.db2.gz UTHAPEBYHMHIFL-ZETCQYMHSA-N -1 0 212.249 0.867 20 0 BCADRM C[C@H](CC(=O)N[C@@H](C)[C@H](C)CO)NC(=O)[O-] ZINC000824607269 587279408 /nfs/dbraw/zinc/27/94/08/587279408.db2.gz WRKMWOPAAHSUJO-PRJMDXOYSA-N -1 0 232.280 0.166 20 0 BCADRM C[C@H](CC(=O)N[C@@H]1CCCOC1)NC(=O)[O-] ZINC000824621982 587279863 /nfs/dbraw/zinc/27/98/63/587279863.db2.gz JDEJPLPFXHQABL-HTQZYQBOSA-N -1 0 230.264 0.328 20 0 BCADRM C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1O)NC(=O)[O-] ZINC000824620787 587279990 /nfs/dbraw/zinc/27/99/90/587279990.db2.gz AZOUBELRXZJMSW-IWSPIJDZSA-N -1 0 244.291 0.452 20 0 BCADRM C[C@H](CC(=O)NCC1(C)CC1)NC(=O)[O-] ZINC000824630121 587280097 /nfs/dbraw/zinc/28/00/97/587280097.db2.gz UTIRNXWOSXXBAF-SSDOTTSWSA-N -1 0 214.265 0.949 20 0 BCADRM CC(C)[C@](C)(O)CNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824628827 587280111 /nfs/dbraw/zinc/28/01/11/587280111.db2.gz KRHOZEZUTSTZBL-LDYMZIIASA-N -1 0 246.307 0.556 20 0 BCADRM C[C@H](CC(=O)NCC1(C)COC1)NC(=O)[O-] ZINC000824630333 587280395 /nfs/dbraw/zinc/28/03/95/587280395.db2.gz VXRJVIZZZPPLJR-SSDOTTSWSA-N -1 0 230.264 0.185 20 0 BCADRM C[C@@H](CC(=O)NCCOC1CCC1)NC(=O)[O-] ZINC000824647305 587280996 /nfs/dbraw/zinc/28/09/96/587280996.db2.gz VZMZDBBJNPCBSP-QMMMGPOBSA-N -1 0 244.291 0.718 20 0 BCADRM C[C@@H](CC(=O)NCc1ccccn1)NC(=O)[O-] ZINC000824664258 587281844 /nfs/dbraw/zinc/28/18/44/587281844.db2.gz JPQYWFUTXRXXMN-QMMMGPOBSA-N -1 0 237.259 0.744 20 0 BCADRM C[C@@H](O)C[C@H](C)Nc1cccc(-c2nn[nH]n2)n1 ZINC000824699734 587283163 /nfs/dbraw/zinc/28/31/63/587283163.db2.gz VBNUZBKDGMEWOU-JGVFFNPUSA-N -1 0 248.290 0.833 20 0 BCADRM C[C@@H](CC(=O)Nc1cnn(C)c1)NC(=O)[O-] ZINC000824710803 587283799 /nfs/dbraw/zinc/28/37/99/587283799.db2.gz MEFXGLZZJHJVNL-LURJTMIESA-N -1 0 226.236 0.405 20 0 BCADRM C[C@@H](CC(=O)Nc1ncccc1O)NC(=O)[O-] ZINC000824711085 587283885 /nfs/dbraw/zinc/28/38/85/587283885.db2.gz PSYSARGDQQMTND-LURJTMIESA-N -1 0 239.231 0.772 20 0 BCADRM C[C@@H](CC(=O)Nc1ccncc1)NC(=O)[O-] ZINC000824711149 587284079 /nfs/dbraw/zinc/28/40/79/587284079.db2.gz RGYWQEVOEYPWEN-ZETCQYMHSA-N -1 0 223.232 0.488 20 0 BCADRM C[C@H](CC(=O)O[C@H](C)C(=O)N(C)C)NC(=O)[O-] ZINC000824720028 587284243 /nfs/dbraw/zinc/28/42/43/587284243.db2.gz MOSDZRMQWXPXFT-RNFRBKRXSA-N -1 0 246.263 0.053 20 0 BCADRM C[C@@H](CC(=O)O[C@@H](C)C(=O)N(C)C)NC(=O)[O-] ZINC000824720026 587284394 /nfs/dbraw/zinc/28/43/94/587284394.db2.gz MOSDZRMQWXPXFT-BQBZGAKWSA-N -1 0 246.263 0.053 20 0 BCADRM C[C@H](C[C@@H]1CCOC1)NC(=O)CN(C)C(=O)[O-] ZINC000824770084 587286555 /nfs/dbraw/zinc/28/65/55/587286555.db2.gz ZUUPMLCVRVQWQI-BDAKNGLRSA-N -1 0 244.291 0.528 20 0 BCADRM C[C@H](CCCO)NC(=O)CC(C)(C)NC(=O)[O-] ZINC000824775558 587286823 /nfs/dbraw/zinc/28/68/23/587286823.db2.gz DOQMQOKNFHNESH-MRVPVSSYSA-N -1 0 246.307 0.700 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000824775456 587286966 /nfs/dbraw/zinc/28/69/66/587286966.db2.gz BUGTWXBRXMIZCQ-DJLDLDEBSA-N -1 0 244.291 0.574 20 0 BCADRM CSc1nc(NC(=O)[C@@H](O)C2CC2)n[nH]1 ZINC000824783787 587287135 /nfs/dbraw/zinc/28/71/35/587287135.db2.gz XRYGUNGZMNDXEQ-YFKPBYRVSA-N -1 0 228.277 0.236 20 0 BCADRM C[C@@H](CCNC(=O)C1(C)CC1)NC(=O)[O-] ZINC000824786322 587287352 /nfs/dbraw/zinc/28/73/52/587287352.db2.gz LLVGNKHOJYVLGR-ZETCQYMHSA-N -1 0 214.265 0.949 20 0 BCADRM C[C@H](CCCO)NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824778877 587287487 /nfs/dbraw/zinc/28/74/87/587287487.db2.gz WKYUYEYFIYXBNQ-RKDXNWHRSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@@H](CCNC(=O)NCCCF)NC(=O)[O-] ZINC000824794853 587287914 /nfs/dbraw/zinc/28/79/14/587287914.db2.gz WHVFPWQRYBOLSB-ZETCQYMHSA-N -1 0 235.259 0.691 20 0 BCADRM C[C@H](CCO)CNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000824803644 587288061 /nfs/dbraw/zinc/28/80/61/587288061.db2.gz SPGUIWIAQPOFCG-RKDXNWHRSA-N -1 0 246.307 0.367 20 0 BCADRM C[C@@H](CCO)NC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000824808982 587288069 /nfs/dbraw/zinc/28/80/69/587288069.db2.gz CNELGVNTWQLZQJ-JGVFFNPUSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@@H](CCO)CNC(=O)C[C@H](C)NC(=O)[O-] ZINC000824802374 587288177 /nfs/dbraw/zinc/28/81/77/587288177.db2.gz KKVKZANLKQWBNV-YUMQZZPRSA-N -1 0 232.280 0.167 20 0 BCADRM C[C@H](CCNc1cccnn1)NC(=O)[O-] ZINC000824802204 587288209 /nfs/dbraw/zinc/28/82/09/587288209.db2.gz JDWRYPZXKRMSAA-SSDOTTSWSA-N -1 0 210.237 0.935 20 0 BCADRM C[C@@H](CCO)CNC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000824801932 587288322 /nfs/dbraw/zinc/28/83/22/587288322.db2.gz HBPWPVYDWZNBCH-DTWKUNHWSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@@H](CCO)NC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824808923 587288377 /nfs/dbraw/zinc/28/83/77/587288377.db2.gz BWAFWBKKTXRXPL-DTWKUNHWSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@H](CCO)CNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824802369 587288395 /nfs/dbraw/zinc/28/83/95/587288395.db2.gz KKVKZANLKQWBNV-HTQZYQBOSA-N -1 0 232.280 0.167 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@H](O)C1 ZINC000824833445 587289323 /nfs/dbraw/zinc/28/93/23/587289323.db2.gz NTKFBPZABKZAQR-IUCAKERBSA-N -1 0 244.291 0.216 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000824839562 587290065 /nfs/dbraw/zinc/29/00/65/587290065.db2.gz DSIFMJIDIKLOLZ-MRVPVSSYSA-N -1 0 230.264 0.091 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@H]1CCSC1 ZINC000824850059 587290172 /nfs/dbraw/zinc/29/01/72/587290172.db2.gz VZXXMDDDVCCMJU-YUMQZZPRSA-N -1 0 246.332 0.854 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)Nc1ccncc1 ZINC000824880652 587291379 /nfs/dbraw/zinc/29/13/79/587291379.db2.gz KFLAGVDDBWWDIK-MRVPVSSYSA-N -1 0 237.259 0.688 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ccnn1C ZINC000824880823 587291580 /nfs/dbraw/zinc/29/15/80/587291580.db2.gz NOWWLEZDYHVRFL-ZETCQYMHSA-N -1 0 240.263 0.605 20 0 BCADRM C[C@H]1C[C@@H]1CNc1ccc(-c2nn[nH]n2)nn1 ZINC000824901352 587292293 /nfs/dbraw/zinc/29/22/93/587292293.db2.gz YMXOTDOBHSGUIF-NKWVEPMBSA-N -1 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ZINC000826765596 587361520 /nfs/dbraw/zinc/36/15/20/587361520.db2.gz SARVRSGIBHMXPJ-QMMMGPOBSA-N -1 0 232.280 0.311 20 0 BCADRM CCC[C@H](O)CNC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000826764585 587361750 /nfs/dbraw/zinc/36/17/50/587361750.db2.gz KETFPYBQAGQBLY-IUCAKERBSA-N -1 0 244.291 0.264 20 0 BCADRM CC(C)C[C@@H](OC(=O)[C@H]1CNC(=O)C1)C(=O)[O-] ZINC000826813024 587363114 /nfs/dbraw/zinc/36/31/14/587363114.db2.gz MUPGCZZNJIFVLE-HTQZYQBOSA-N -1 0 243.259 0.165 20 0 BCADRM CCCCCOC1CN(C(=O)CNC(=O)[O-])C1 ZINC000826826094 587363521 /nfs/dbraw/zinc/36/35/21/587363521.db2.gz OPGRYTRYHUHFNC-UHFFFAOYSA-N -1 0 244.291 0.672 20 0 BCADRM CCCCOCC(=O)NCC(C)(C)NC(=O)[O-] ZINC000826842247 587363926 /nfs/dbraw/zinc/36/39/26/587363926.db2.gz KKNXNEWRNSFMEC-UHFFFAOYSA-N -1 0 246.307 0.966 20 0 BCADRM CCCCNC(=O)COC1CN(C(=O)[O-])C1 ZINC000826837402 587363989 /nfs/dbraw/zinc/36/39/89/587363989.db2.gz YMSNWSKVHREMDC-UHFFFAOYSA-N -1 0 230.264 0.282 20 0 BCADRM CCCN(CC(C)(C)O)C(=O)[C@@H](C)NC(=O)[O-] ZINC000826902414 587364783 /nfs/dbraw/zinc/36/47/83/587364783.db2.gz BOUOTSSRRBJUQD-MRVPVSSYSA-N -1 0 246.307 0.652 20 0 BCADRM CCCN(CC)C(=O)NC1CN(C(=O)[O-])C1 ZINC000826904631 587365194 /nfs/dbraw/zinc/36/51/94/587365194.db2.gz YLLZCBYNBXKZPI-UHFFFAOYSA-N -1 0 229.280 0.790 20 0 BCADRM CCCNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000826922350 587365520 /nfs/dbraw/zinc/36/55/20/587365520.db2.gz XFKJKECESSSNHT-HTQZYQBOSA-N -1 0 214.265 0.949 20 0 BCADRM CCCNC(=O)COC(=O)[C@H](CC)NC(=O)[O-] ZINC000826925750 587365528 /nfs/dbraw/zinc/36/55/28/587365528.db2.gz LQASKPMIIRPVIR-ZETCQYMHSA-N -1 0 246.263 0.102 20 0 BCADRM CCCNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000826919804 587365656 /nfs/dbraw/zinc/36/56/56/587365656.db2.gz CQNVNLWMLHKSNZ-SSDOTTSWSA-N -1 0 202.254 0.759 20 0 BCADRM CCCNC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000826925870 587365868 /nfs/dbraw/zinc/36/58/68/587365868.db2.gz NUUIKNWDHALOQS-MRVPVSSYSA-N -1 0 229.280 0.790 20 0 BCADRM CCCNC(=S)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000826931400 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C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000828311119 587432727 /nfs/dbraw/zinc/43/27/27/587432727.db2.gz UNRQRNBAFTZTIS-SFYZADRCSA-N -1 0 241.287 0.781 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000828317595 587434499 /nfs/dbraw/zinc/43/44/99/587434499.db2.gz GEXYZNQOFCTTDD-XHNCKOQMSA-N -1 0 229.276 0.733 20 0 BCADRM CN(CCNC(=O)N[C@H]1CCSC1)C(=O)[O-] ZINC000828324557 587434806 /nfs/dbraw/zinc/43/48/06/587434806.db2.gz RVLAALQVCGMVOF-ZETCQYMHSA-N -1 0 247.320 0.401 20 0 BCADRM C[C@H]1CN(C(=O)C2=CCCCO2)C[C@H]1C(=O)[O-] ZINC000828326532 587435056 /nfs/dbraw/zinc/43/50/56/587435056.db2.gz SQKBTJJKUUIAFO-DTWKUNHWSA-N -1 0 239.271 0.860 20 0 BCADRM C[C@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1C(=O)[O-] ZINC000828403783 587440229 /nfs/dbraw/zinc/44/02/29/587440229.db2.gz WUDODIKNAKDDEP-WCBMZHEXSA-N -1 0 236.271 0.818 20 0 BCADRM C[C@H]1COCCCN1C(=O)CCCNC(=O)[O-] ZINC000828508330 587446578 /nfs/dbraw/zinc/44/65/78/587446578.db2.gz BUFURKPYGWVOIH-VIFPVBQESA-N -1 0 244.291 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587498627 /nfs/dbraw/zinc/49/86/27/587498627.db2.gz GCHMSSCTOWNDOU-SSDOTTSWSA-N -1 0 223.294 0.379 20 0 BCADRM COc1ccc(O)c(NC(=O)CNC(=O)[O-])c1 ZINC000829484605 587500097 /nfs/dbraw/zinc/50/00/97/587500097.db2.gz VEYLZWAUUQUPRT-UHFFFAOYSA-N -1 0 240.215 0.607 20 0 BCADRM CCCN(CC(=O)OC)C(=O)[C@@H](C)CC(=O)[O-] ZINC000829482401 587500179 /nfs/dbraw/zinc/50/01/79/587500179.db2.gz SYKFEKXPTCZHHH-QMMMGPOBSA-N -1 0 245.275 0.509 20 0 BCADRM CCCNC(=O)CCCC(=O)OCC(=O)[O-] ZINC000829508188 587500773 /nfs/dbraw/zinc/50/07/73/587500773.db2.gz OUJVDPNQLNIQBV-UHFFFAOYSA-N -1 0 231.248 0.311 20 0 BCADRM CCCOC(=O)[C@@H](C)N1CCOC[C@H]1C(=O)[O-] ZINC000829519515 587501713 /nfs/dbraw/zinc/50/17/13/587501713.db2.gz KVUIBONZPXQNOA-BDAKNGLRSA-N -1 0 245.275 0.114 20 0 BCADRM CCCNC(=S)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000829519323 587501965 /nfs/dbraw/zinc/50/19/65/587501965.db2.gz DQMILTXWZKCFTF-SFYZADRCSA-N -1 0 230.333 0.923 20 0 BCADRM CCCOC(=O)[C@H](C)OC(=O)CCNC(=O)[O-] ZINC000829523288 587502090 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ZINC000739215282 602838868 /nfs/dbraw/zinc/83/88/68/602838868.db2.gz XPKHKEFEKVOYNN-IWSPIJDZSA-N -1 0 243.307 0.323 20 0 BCADRM C[C@@H]1C[C@H]1CNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739087053 602846901 /nfs/dbraw/zinc/84/69/01/602846901.db2.gz UVZQSJHIQFCXCQ-VGMNWLOBSA-N -1 0 242.275 0.137 20 0 BCADRM O=C([O-])NCCC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000738655152 602847526 /nfs/dbraw/zinc/84/75/26/602847526.db2.gz XOTQYPZICQAVDV-SFYZADRCSA-N -1 0 212.249 0.655 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000738980765 602847557 /nfs/dbraw/zinc/84/75/57/602847557.db2.gz AELZGHODROUNBE-FXQIFTODSA-N -1 0 212.249 0.653 20 0 BCADRM Cc1cc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)n[nH]1 ZINC000740084285 602851363 /nfs/dbraw/zinc/85/13/63/602851363.db2.gz SJCWEWLYFMLJEO-ZETCQYMHSA-N -1 0 238.247 0.657 20 0 BCADRM CC[C@@H](COC)NC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000739257531 602852882 /nfs/dbraw/zinc/85/28/82/602852882.db2.gz HUIJCGVSNODUNZ-DTWKUNHWSA-N -1 0 244.291 0.670 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)NCC1CCSCC1 ZINC000738994479 602852478 /nfs/dbraw/zinc/85/24/78/602852478.db2.gz KAKJJGXQMJWIJB-ZETCQYMHSA-N -1 0 246.332 0.902 20 0 BCADRM CC[C@H](COC)NC(=O)[C@H](CC)NC(=O)[O-] ZINC000739258140 602852630 /nfs/dbraw/zinc/85/26/30/602852630.db2.gz NXDLGSNUNZRKRP-SFYZADRCSA-N -1 0 232.280 0.574 20 0 BCADRM CC[C@@H](COC)NC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000739257533 602852774 /nfs/dbraw/zinc/85/27/74/602852774.db2.gz HUIJCGVSNODUNZ-IUCAKERBSA-N -1 0 244.291 0.670 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N[C@H](CC)COC ZINC000739314657 602852788 /nfs/dbraw/zinc/85/27/88/602852788.db2.gz QINLQLFRSUPHGJ-RKDXNWHRSA-N -1 0 246.307 0.964 20 0 BCADRM CC[C@H](C)CS(=O)(=O)NCCNC(=O)[O-] ZINC000739238886 602864409 /nfs/dbraw/zinc/86/44/09/602864409.db2.gz RIJROHKFCFEJIB-ZETCQYMHSA-N -1 0 238.309 0.220 20 0 BCADRM CCN(CC(=O)O[C@@H]1CCOC1)C(=O)[O-] ZINC000739401595 602867291 /nfs/dbraw/zinc/86/72/91/602867291.db2.gz XNXRAMIEAXTJLQ-SSDOTTSWSA-N -1 0 217.221 0.318 20 0 BCADRM CCCN(C)C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739344936 602870210 /nfs/dbraw/zinc/87/02/10/602870210.db2.gz LILJILVFGQTXAY-MRVPVSSYSA-N -1 0 230.264 0.234 20 0 BCADRM CCOCCOC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739490441 602885764 /nfs/dbraw/zinc/88/57/64/602885764.db2.gz XDLYAUNPEQYNSL-QMMMGPOBSA-N -1 0 231.248 0.566 20 0 BCADRM C[C@@H]1CN(S(C)(=O)=O)C[C@@H](C)N1C(=O)[O-] ZINC000739189542 602870392 /nfs/dbraw/zinc/87/03/92/602870392.db2.gz HTMDCKVECAWLED-RNFRBKRXSA-N -1 0 236.293 0.019 20 0 BCADRM CN(C)C(=O)C1(CNC(=O)[O-])CCCC1 ZINC000737344283 602874079 /nfs/dbraw/zinc/87/40/79/602874079.db2.gz CXYOGOZTBUOZNN-UHFFFAOYSA-N -1 0 214.265 0.903 20 0 BCADRM CC(C)OC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000738862102 602887411 /nfs/dbraw/zinc/88/74/11/602887411.db2.gz JKNOAWVPTVIRRI-SSDOTTSWSA-N -1 0 201.222 0.938 20 0 BCADRM CCCC(=O)COC(=O)CN(CC)C(=O)[O-] ZINC000739280651 602890289 /nfs/dbraw/zinc/89/02/89/602890289.db2.gz MNFGHVGFIKHIJB-UHFFFAOYSA-N -1 0 231.248 0.899 20 0 BCADRM 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CCOC(=O)[C@H](C)N(C)CCCNC(=O)[O-] ZINC000739466039 603258604 /nfs/dbraw/zinc/25/86/04/603258604.db2.gz KHBXSQKIGJROAX-QMMMGPOBSA-N -1 0 232.280 0.528 20 0 BCADRM CCCCN(C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739327290 603258778 /nfs/dbraw/zinc/25/87/78/603258778.db2.gz UTFKHHBGUWBIOP-MRVPVSSYSA-N -1 0 235.305 0.954 20 0 BCADRM CO[C@@H](C)CN(C(=O)CCNC(=O)[O-])C(C)C ZINC000737734230 603259271 /nfs/dbraw/zinc/25/92/71/603259271.db2.gz NZTIVTBRYNXZEN-VIFPVBQESA-N -1 0 246.307 0.916 20 0 BCADRM CC(C)NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000738855717 603260710 /nfs/dbraw/zinc/26/07/10/603260710.db2.gz OQNUVTKIMKCGOD-SSDOTTSWSA-N -1 0 200.238 0.511 20 0 BCADRM COCCCNC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739806552 603262808 /nfs/dbraw/zinc/26/28/08/603262808.db2.gz DLGUZBZNWXGKBH-QMMMGPOBSA-N -1 0 230.264 0.139 20 0 BCADRM O=C([O-])N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000740493341 603262958 /nfs/dbraw/zinc/26/29/58/603262958.db2.gz DTNIBUXLQAXISA-QMMMGPOBSA-N -1 0 212.249 0.609 20 0 BCADRM CCOCCCNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739491428 603263600 /nfs/dbraw/zinc/26/36/00/603263600.db2.gz DZCTXZHABFVSRC-SECBINFHSA-N -1 0 244.291 0.529 20 0 BCADRM O=C([O-])NCCC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000738657958 603272534 /nfs/dbraw/zinc/27/25/34/603272534.db2.gz SQCQGULGYRTCPC-BDAKNGLRSA-N -1 0 244.291 0.311 20 0 BCADRM O=C([O-])N1CC[C@@H](C(=O)NCc2cc[nH]n2)C1 ZINC000740444767 603277684 /nfs/dbraw/zinc/27/76/84/603277684.db2.gz JJGBIMFOTLSMOV-SSDOTTSWSA-N -1 0 238.247 0.026 20 0 BCADRM C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739085157 603278461 /nfs/dbraw/zinc/27/84/61/603278461.db2.gz RDIZCDBZNKOESG-IWSPIJDZSA-N -1 0 226.276 0.759 20 0 BCADRM CSC[C@H](C)NC(=O)NCCCNC(=O)[O-] ZINC000740002037 603284229 /nfs/dbraw/zinc/28/42/29/603284229.db2.gz ZKZSYCNUOSLXDA-ZETCQYMHSA-N -1 0 249.336 0.695 20 0 BCADRM CCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000739210461 603303633 /nfs/dbraw/zinc/30/36/33/603303633.db2.gz FHNKUFDJLACHRE-JGVFFNPUSA-N -1 0 214.265 0.949 20 0 BCADRM 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O=C([O-])N1CC[C@H](CN2CCS(=O)CC2)C1 ZINC000740504184 603338464 /nfs/dbraw/zinc/33/84/64/603338464.db2.gz SPWJWQUYVNWENX-SECBINFHSA-N -1 0 246.332 0.051 20 0 BCADRM O=C([O-])N1CC[C@@H](CN2CCS(=O)CC2)C1 ZINC000740504185 603338755 /nfs/dbraw/zinc/33/87/55/603338755.db2.gz SPWJWQUYVNWENX-VIFPVBQESA-N -1 0 246.332 0.051 20 0 BCADRM CCCOC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)[O-] ZINC000739366576 603342934 /nfs/dbraw/zinc/34/29/34/603342934.db2.gz PIHGMYQEHLKGQG-BDAKNGLRSA-N -1 0 246.307 0.916 20 0 BCADRM COC[C@H](C)NC(=O)N(C)CCCNC(=O)[O-] ZINC000739802818 603367014 /nfs/dbraw/zinc/36/70/14/603367014.db2.gz AXLPNBZKFBDRDE-QMMMGPOBSA-N -1 0 247.295 0.320 20 0 BCADRM COCCC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739805071 603368472 /nfs/dbraw/zinc/36/84/72/603368472.db2.gz KJZIEQJHECMORL-IUCAKERBSA-N -1 0 244.291 0.528 20 0 BCADRM COC(=O)CSC[C@H]1CCN(C(=O)[O-])C1 ZINC000739764884 603371241 /nfs/dbraw/zinc/37/12/41/603371241.db2.gz MOCWGNMDAZLBJV-ZETCQYMHSA-N -1 0 233.289 0.893 20 0 BCADRM CSCC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739996826 603373078 /nfs/dbraw/zinc/37/30/78/603373078.db2.gz CTWGZZFTYFUZJA-JGVFFNPUSA-N -1 0 246.332 0.854 20 0 BCADRM CCN(CC(=O)NC[C@@H]1CCCO1)C(=O)[O-] ZINC000739393644 603373952 /nfs/dbraw/zinc/37/39/52/603373952.db2.gz RBTKLORIDKFIGU-QMMMGPOBSA-N -1 0 230.264 0.282 20 0 BCADRM C[C@@H](CC(=O)NC[C@H]1CCCOC1)NC(=O)[O-] ZINC000824638321 603376027 /nfs/dbraw/zinc/37/60/27/603376027.db2.gz ZWNFANNFTGVDLW-DTWKUNHWSA-N -1 0 244.291 0.575 20 0 BCADRM C[C@@H](CC(=O)NC[C@@H]1CCCOC1)NC(=O)[O-] ZINC000824638322 603376223 /nfs/dbraw/zinc/37/62/23/603376223.db2.gz ZWNFANNFTGVDLW-IUCAKERBSA-N -1 0 244.291 0.575 20 0 BCADRM CNC(=S)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000739748998 603377875 /nfs/dbraw/zinc/37/78/75/603377875.db2.gz CXNQQXRDGSQFDG-SFYZADRCSA-N -1 0 245.348 0.907 20 0 BCADRM CCN(CC(=O)N[C@H](C)[C@@H]1CCCO1)C(=O)[O-] ZINC000739389390 603379367 /nfs/dbraw/zinc/37/93/67/603379367.db2.gz MVEHDKKRQQWSOB-BDAKNGLRSA-N -1 0 244.291 0.670 20 0 BCADRM CCN(CC(=O)Nc1cc(C)nn1C)C(=O)[O-] ZINC000739391688 603379403 /nfs/dbraw/zinc/37/94/03/603379403.db2.gz GUCATOQJFNNKFV-UHFFFAOYSA-N -1 0 240.263 0.667 20 0 BCADRM CCN(CC(=O)Nc1cnn(CC)c1)C(=O)[O-] ZINC000739404623 603382384 /nfs/dbraw/zinc/38/23/84/603382384.db2.gz WMPQAUXFOLVTBG-UHFFFAOYSA-N -1 0 240.263 0.841 20 0 BCADRM C[C@@H](O)C[C@@H](C)CNC(=O)CCNC(=O)[O-] ZINC000736673495 603384270 /nfs/dbraw/zinc/38/42/70/603384270.db2.gz CFJFRJGLWHMYBI-HTQZYQBOSA-N -1 0 232.280 0.167 20 0 BCADRM C[C@@H](O)C[C@H](C)CNC(=O)[C@@H](C)NC(=O)[O-] ZINC000739036700 603384752 /nfs/dbraw/zinc/38/47/52/603384752.db2.gz LDJSWIWVDQDQRY-XLPZGREQSA-N -1 0 232.280 0.166 20 0 BCADRM CCN(CC(=O)N[C@@H](C)CCOC)C(=O)[O-] ZINC000739387844 603385848 /nfs/dbraw/zinc/38/58/48/603385848.db2.gz AHRONURINAWQQL-QMMMGPOBSA-N -1 0 232.280 0.528 20 0 BCADRM O=C([O-])NCCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000738657954 603388193 /nfs/dbraw/zinc/38/81/93/603388193.db2.gz SOXOXKCYHOHJGP-BDAKNGLRSA-N -1 0 244.291 0.311 20 0 BCADRM 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/nfs/dbraw/zinc/54/93/71/638549371.db2.gz XCUOYPIZPNANNK-MRVPVSSYSA-N -1 0 239.275 0.712 20 0 BCADRM CCC[C@@H](NC(=O)[C@@](C)(O)CCC)C(=O)[O-] ZINC000908014800 638549376 /nfs/dbraw/zinc/54/93/76/638549376.db2.gz JWVXVVRFXDPWQZ-KCJUWKMLSA-N -1 0 231.292 0.907 20 0 BCADRM CO[C@@H]1CC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000908041746 638558652 /nfs/dbraw/zinc/55/86/52/638558652.db2.gz ABUXSSXTXXCGIV-FNCVBFRFSA-N -1 0 227.260 0.343 20 0 BCADRM Cn1cnc(CNC(=O)C2(C(=O)[O-])CCC2)c1 ZINC000908122507 638573093 /nfs/dbraw/zinc/57/30/93/638573093.db2.gz SCVJWSJVLHOHEP-UHFFFAOYSA-N -1 0 237.259 0.291 20 0 BCADRM Cn1cnc(CNC(=O)C23CC(C(=O)[O-])(C2)C3)c1 ZINC000908121564 638573141 /nfs/dbraw/zinc/57/31/41/638573141.db2.gz BPASDRJYWSCFKK-UHFFFAOYSA-N -1 0 249.270 0.291 20 0 BCADRM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)C(C)(C)O ZINC000908129799 638575848 /nfs/dbraw/zinc/57/58/48/638575848.db2.gz WLEAJWXWPWZPTC-LURJTMIESA-N -1 0 241.243 0.867 20 0 BCADRM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)[N-]OCCCOC 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ZINC000908184010 638596981 /nfs/dbraw/zinc/59/69/81/638596981.db2.gz WAVYJQUVJNYRTH-PTRXPTGYSA-N -1 0 241.287 0.638 20 0 BCADRM CCC[C@H](NC(=O)c1coc(C)n1)C(=O)[O-] ZINC000908209923 638613104 /nfs/dbraw/zinc/61/31/04/638613104.db2.gz GITDJZJUHFJJKA-ZETCQYMHSA-N -1 0 226.232 0.966 20 0 BCADRM CCC[C@H](NC(=O)[C@H](C)[C@@H](O)CC)C(=O)[O-] ZINC000908216129 638616622 /nfs/dbraw/zinc/61/66/22/638616622.db2.gz NMYNVUPPVHSVDA-VGMNWLOBSA-N -1 0 231.292 0.763 20 0 BCADRM CCC[C@H](NC(=O)[C@H](C)[C@H](O)CC)C(=O)[O-] ZINC000908216128 638617226 /nfs/dbraw/zinc/61/72/26/638617226.db2.gz NMYNVUPPVHSVDA-HRDYMLBCSA-N -1 0 231.292 0.763 20 0 BCADRM O=C([O-])C1(C(=O)N[C@@H]2COC[C@H]2C2CC2)CC1 ZINC000908292424 638644849 /nfs/dbraw/zinc/64/48/49/638644849.db2.gz OXEVQAOMXIXUCZ-DTWKUNHWSA-N -1 0 239.271 0.392 20 0 BCADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000908290670 638645647 /nfs/dbraw/zinc/64/56/47/638645647.db2.gz GBUHYJOHAVSXGC-KYXWUPHJSA-N -1 0 239.271 0.248 20 0 BCADRM CC(C)(C(=O)[O-])C(=O)N[C@H]1COC[C@H]1C1CC1 ZINC000908291758 638646369 /nfs/dbraw/zinc/64/63/69/638646369.db2.gz MARGNCNBTPYXNN-IUCAKERBSA-N -1 0 241.287 0.638 20 0 BCADRM C[C@@H](O)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908333670 638655463 /nfs/dbraw/zinc/65/54/63/638655463.db2.gz SXLKRWVOFAAYJC-SECBINFHSA-N -1 0 243.303 0.909 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)NC/C=C\Cl ZINC000908352195 638664437 /nfs/dbraw/zinc/66/44/37/638664437.db2.gz NNBVVYSGIYRUFW-SYDCGGLASA-N -1 0 205.641 0.966 20 0 BCADRM C/C=C\[C@@H](O)C(=O)[N-]OCCOC(C)C ZINC000908328722 638665764 /nfs/dbraw/zinc/66/57/64/638665764.db2.gz NTTWQZNCCVFMTN-XRVBUDJMSA-N -1 0 217.265 0.396 20 0 BCADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000908379232 638675606 /nfs/dbraw/zinc/67/56/06/638675606.db2.gz QLFSNAKEKJQWDR-SFYZADRCSA-N -1 0 237.259 0.783 20 0 BCADRM CCC(=O)N1Cc2cc(C(=O)[O-])nn2C[C@H]1C ZINC000908428399 638705983 /nfs/dbraw/zinc/70/59/83/638705983.db2.gz XCJQPWULVIZDEY-SSDOTTSWSA-N -1 0 237.259 0.722 20 0 BCADRM 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639065808 /nfs/dbraw/zinc/06/58/08/639065808.db2.gz RSZPLLCALMNVGI-LDYMZIIASA-N -1 0 231.292 0.765 20 0 BCADRM CCC[C@](C)(O)CNC(=O)[C@@H](CC)C(=O)[O-] ZINC000908798000 639066559 /nfs/dbraw/zinc/06/65/59/639066559.db2.gz RSZPLLCALMNVGI-KCJUWKMLSA-N -1 0 231.292 0.765 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N1CC[C@H](COC)C1 ZINC000908795458 639066655 /nfs/dbraw/zinc/06/66/55/639066655.db2.gz QLAQJBJMSSOULD-IUCAKERBSA-N -1 0 229.276 0.592 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)NC[C@@](C)(O)CSC ZINC000908821596 639068611 /nfs/dbraw/zinc/06/86/11/639068611.db2.gz OEJJIPIRKYTWIW-OIBJUYFYSA-N -1 0 249.332 0.327 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC(O)(CC)CC1 ZINC000908829193 639072519 /nfs/dbraw/zinc/07/25/19/639072519.db2.gz WTHVVGMPWTWYQW-SECBINFHSA-N -1 0 243.303 0.861 20 0 BCADRM CC(C)(NC(=O)/C=C\[C@H]1CCOC1)C(=O)[O-] ZINC000908837988 639076964 /nfs/dbraw/zinc/07/69/64/639076964.db2.gz YPEDUUUAGHLQKI-VEMNSZJBSA-N -1 0 227.260 0.559 20 0 BCADRM CC(C)(NC(=O)c1cc2n(n1)CCC2)C(=O)[O-] ZINC000908839960 639077281 /nfs/dbraw/zinc/07/72/81/639077281.db2.gz WPPSXDUAYPSQRH-UHFFFAOYSA-N -1 0 237.259 0.422 20 0 BCADRM CC(C)(NC(=O)c1cccc(CO)c1)C(=O)[O-] ZINC000908837315 639077531 /nfs/dbraw/zinc/07/75/31/639077531.db2.gz OIAUKAMWLOCSAB-UHFFFAOYSA-N -1 0 237.255 0.772 20 0 BCADRM CC(C)(O)CCC(=O)NC(C)(C)C(=O)[O-] ZINC000908843823 639078467 /nfs/dbraw/zinc/07/84/67/639078467.db2.gz KNPXIPGRUFAUBJ-UHFFFAOYSA-N -1 0 217.265 0.517 20 0 BCADRM CC(C)(NC(=O)c1cccc2ncnn21)C(=O)[O-] ZINC000908845768 639081539 /nfs/dbraw/zinc/08/15/39/639081539.db2.gz VBSVMMJKRCUFCZ-UHFFFAOYSA-N -1 0 248.242 0.322 20 0 BCADRM O=C([O-])CCN(C(=O)C1CC(=O)C1)C1CC1 ZINC000908869666 639083860 /nfs/dbraw/zinc/08/38/60/639083860.db2.gz GHEOFANNBXVWEU-UHFFFAOYSA-N -1 0 225.244 0.431 20 0 BCADRM COCCN(CC(=O)[O-])C(=O)c1[nH]ccc1C ZINC000908848264 639084419 /nfs/dbraw/zinc/08/44/19/639084419.db2.gz CUVRJTCXOZKXCH-UHFFFAOYSA-N -1 0 240.259 0.496 20 0 BCADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H](O)C(C)C ZINC000908857283 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ZINC000166718315 711827562 /nfs/dbraw/zinc/82/75/62/711827562.db2.gz XMMXPXVMROQMBQ-SFYZADRCSA-N -1 0 217.265 0.638 20 0 BCADRM CC1(C)CCCC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000226497153 711831262 /nfs/dbraw/zinc/83/12/62/711831262.db2.gz DMAKURPJUSANOK-IUCAKERBSA-N -1 0 243.303 0.765 20 0 BCADRM O=C([O-])C1(CNC(=O)CCn2ccnc2)CC1 ZINC000138892706 711831463 /nfs/dbraw/zinc/83/14/63/711831463.db2.gz UFCLUHZZAZMZMY-UHFFFAOYSA-N -1 0 237.259 0.254 20 0 BCADRM C[C@H]1CCN(c2cc(=O)[nH]cn2)C[C@@H]1CO ZINC000700418797 711993039 /nfs/dbraw/zinc/99/30/39/711993039.db2.gz NTTRMTLBESLGIP-DTWKUNHWSA-N -1 0 223.276 0.637 20 0 BCADRM CC(C)[C@@H](CNC(=O)c1cccnn1)C(=O)[O-] ZINC000701792716 712029401 /nfs/dbraw/zinc/02/94/01/712029401.db2.gz XHQCLKDNESFYEG-MRVPVSSYSA-N -1 0 237.259 0.563 20 0 BCADRM CC/C=C(\C)C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000702974973 712062955 /nfs/dbraw/zinc/06/29/55/712062955.db2.gz UPSUVTXYTLCJHU-CNTVWIKJSA-N -1 0 227.260 0.701 20 0 BCADRM CSC[C@H](C)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000703143013 712067134 /nfs/dbraw/zinc/06/71/34/712067134.db2.gz HPSCUQBIXAXBML-FXQIFTODSA-N -1 0 246.332 0.900 20 0 BCADRM CO[C@]1(C(=O)[O-])CCN(c2nccs2)C1 ZINC000703761296 712086633 /nfs/dbraw/zinc/08/66/33/712086633.db2.gz ROOIQQOCGDTSHE-SECBINFHSA-N -1 0 228.273 0.823 20 0 BCADRM COC1CCC(NC(=O)NCC(=O)[O-])CC1 ZINC000703819222 712089088 /nfs/dbraw/zinc/08/90/88/712089088.db2.gz NIEVDCGHKAHPLZ-UHFFFAOYSA-N -1 0 230.264 0.328 20 0 BCADRM CC(C)(O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000707507645 712171227 /nfs/dbraw/zinc/17/12/27/712171227.db2.gz HSAWFJCNAQINDH-HRDYMLBCSA-N -1 0 241.287 0.469 20 0 BCADRM CC(C)C[C@H](CNC(=O)CON)CC(=O)[O-] ZINC000708761942 712198576 /nfs/dbraw/zinc/19/85/76/712198576.db2.gz MPQNMZDJWYAHOA-QMMMGPOBSA-N -1 0 232.280 0.130 20 0 BCADRM CO[C@H]1C[C@@H](CNC(=O)[C@H](C)C(=O)[O-])C1 ZINC000708618590 712195408 /nfs/dbraw/zinc/19/54/08/712195408.db2.gz BQTZJLJRECPWOU-BIIVOSGPSA-N -1 0 215.249 0.248 20 0 BCADRM COC(OC)C(=O)[N-]OC1CCCC1 ZINC000709561491 712224566 /nfs/dbraw/zinc/22/45/66/712224566.db2.gz OXPLXXWKLPWYSD-UHFFFAOYSA-N -1 0 203.238 0.596 20 0 BCADRM CCCOCC(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC000711556261 712309094 /nfs/dbraw/zinc/30/90/94/712309094.db2.gz OIJZJSSABWEWHO-LLVKDONJSA-N -1 0 245.275 0.115 20 0 BCADRM CC(C)[C@H](C)C(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC000711550806 712309103 /nfs/dbraw/zinc/30/91/03/712309103.db2.gz LOOPVZYSGJIMST-CABZTGNLSA-N -1 0 243.303 0.981 20 0 BCADRM C[C@]1(C(=O)[O-])CN(C(=O)C2CCC2)CCO1 ZINC000711546634 712310363 /nfs/dbraw/zinc/31/03/63/712310363.db2.gz UEOMIFPZHJDGCS-LLVKDONJSA-N -1 0 227.260 0.489 20 0 BCADRM CCCCC(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC000711547390 712310381 /nfs/dbraw/zinc/31/03/81/712310381.db2.gz XGJFITJLVLRHDY-NSHDSACASA-N -1 0 229.276 0.879 20 0 BCADRM Cc1nccc(N2CCO[C@@](C)(C(=O)[O-])C2)n1 ZINC000711569642 712311301 /nfs/dbraw/zinc/31/13/01/712311301.db2.gz PSNPAKKJQHACOU-LLVKDONJSA-N -1 0 237.259 0.465 20 0 BCADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@@H](O)CC1 ZINC000378788301 712361389 /nfs/dbraw/zinc/36/13/89/712361389.db2.gz MFOYMGPTEIYFMC-VHSXEESVSA-N -1 0 243.303 0.861 20 0 BCADRM CCC[C@]1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCOC1 ZINC000378824316 712362693 /nfs/dbraw/zinc/36/26/93/712362693.db2.gz OJXBNAUWIYKZDV-PTRXPTGYSA-N -1 0 241.287 0.783 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N1CCC2(CCC2)CC1 ZINC000713217692 712455312 /nfs/dbraw/zinc/45/53/12/712455312.db2.gz PPWLCFMQLDWHOM-VIFPVBQESA-N -1 0 241.287 0.879 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000713219064 712455354 /nfs/dbraw/zinc/45/53/54/712455354.db2.gz UHZXAJCTJOERKF-PRJMDXOYSA-N -1 0 247.316 0.438 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccccc1 ZINC000713238174 712455731 /nfs/dbraw/zinc/45/57/31/712455731.db2.gz BLXXFRCLCZJEMY-WPRPVWTQSA-N -1 0 237.255 0.963 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)NC[C@@]1(C)CC1(C)C ZINC000713244035 712456098 /nfs/dbraw/zinc/45/60/98/712456098.db2.gz HTEYPZOBPZMWAL-WRWORJQWSA-N -1 0 229.276 0.638 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(C)nc1C ZINC000713249515 712456401 /nfs/dbraw/zinc/45/64/01/712456401.db2.gz VZYWZNWPAUYVCG-VIFPVBQESA-N -1 0 238.243 0.737 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N[C@H](C)c1ccccn1 ZINC000713245830 712456449 /nfs/dbraw/zinc/45/64/49/712456449.db2.gz LUYDHUWBTQFJAP-APPZFPTMSA-N -1 0 238.243 0.358 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N(C)Cc1ccoc1C ZINC000713252712 712456470 /nfs/dbraw/zinc/45/64/70/712456470.db2.gz NIZPXLHYTDJWPP-SECBINFHSA-N -1 0 241.243 0.646 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000713193759 712454235 /nfs/dbraw/zinc/45/42/35/712454235.db2.gz LFJDSBMNSWVXAS-JGVFFNPUSA-N -1 0 245.275 0.112 20 0 BCADRM CC[C@](C)(NC(=O)[C@H](OC)C(=O)[O-])C1CC1 ZINC000713194145 712454247 /nfs/dbraw/zinc/45/42/47/712454247.db2.gz XVYKJGZKASXCAD-KWQFWETISA-N -1 0 229.276 0.781 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](CCF)C1 ZINC000713193742 712454480 /nfs/dbraw/zinc/45/44/80/712454480.db2.gz KLNAVEFCFQLPAU-RKDXNWHRSA-N -1 0 247.266 0.684 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000713214106 712455267 /nfs/dbraw/zinc/45/52/67/712455267.db2.gz CLCWCHUGNCZSRS-IWSPIJDZSA-N -1 0 229.276 0.781 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000713254049 712456870 /nfs/dbraw/zinc/45/68/70/712456870.db2.gz SAOVQUKKYLZREV-YIZRAAEISA-N -1 0 229.276 0.733 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)NCc1ccc(F)cc1 ZINC000713254477 712456876 /nfs/dbraw/zinc/45/68/76/712456876.db2.gz UPSOWKXYFWIBAK-SECBINFHSA-N -1 0 241.218 0.542 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N(C)CC1CCCC1 ZINC000713254051 712456993 /nfs/dbraw/zinc/45/69/93/712456993.db2.gz SFUTVEZWRSDBFN-SECBINFHSA-N -1 0 229.276 0.735 20 0 BCADRM CCCN(CC1CC1)C(=O)[C@H](OC)C(=O)[O-] ZINC000713254540 712456994 /nfs/dbraw/zinc/45/69/94/712456994.db2.gz VATBHXKKGLANTH-VIFPVBQESA-N -1 0 229.276 0.735 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)NCC1CCCC1 ZINC000713270744 712457203 /nfs/dbraw/zinc/45/72/03/712457203.db2.gz WFBAYCIHGPJIIN-MRVPVSSYSA-N -1 0 215.249 0.392 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)NCCCC(C)C ZINC000713280664 712457664 /nfs/dbraw/zinc/45/76/64/712457664.db2.gz ODJYGZJVJHMZCB-QMMMGPOBSA-N -1 0 217.265 0.638 20 0 BCADRM CCC[C@H](CC)NC(=O)[C@@H](OC)C(=O)[O-] ZINC000713279835 712457715 /nfs/dbraw/zinc/45/77/15/712457715.db2.gz LSKHJKYLNYKTAO-JGVFFNPUSA-N -1 0 217.265 0.781 20 0 BCADRM CCN(CC(C)C)C(=O)[C@@H](OC)C(=O)[O-] ZINC000713280636 712457779 /nfs/dbraw/zinc/45/77/79/712457779.db2.gz NTRXKLHFPAOQQU-MRVPVSSYSA-N -1 0 217.265 0.591 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N[C@H](C)C(C)(C)C ZINC000713276656 712457799 /nfs/dbraw/zinc/45/77/99/712457799.db2.gz FGSZISAFBYNZFI-RQJHMYQMSA-N -1 0 217.265 0.637 20 0 BCADRM CCCCCCNC(=O)[C@H](OC)C(=O)[O-] ZINC000713282357 712458070 /nfs/dbraw/zinc/45/80/70/712458070.db2.gz UZTBYOWLQOQEBZ-QMMMGPOBSA-N -1 0 217.265 0.783 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N1CC[C@H](C)[C@H]1C ZINC000713294710 712458160 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CCN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000037078317 712535352 /nfs/dbraw/zinc/53/53/52/712535352.db2.gz MQWKFVRGHKEFQR-RGOKHQFPSA-N -1 0 223.272 0.988 20 0 BCADRM C[C@@H]1C[C@H](NN2CC[C@H](C)[C@@H](C(=O)[O-])C2)CO1 ZINC000831073137 712595272 /nfs/dbraw/zinc/59/52/72/712595272.db2.gz ZVUWHLNTADJXPF-VLEAKVRGSA-N -1 0 242.319 0.711 20 0 BCADRM C[C@H]1C[C@@H](NNCCCCCC(=O)[O-])CO1 ZINC000831072070 712595303 /nfs/dbraw/zinc/59/53/03/712595303.db2.gz JYPYWSCLVXIYSD-VHSXEESVSA-N -1 0 230.308 0.903 20 0 BCADRM C[C@@H]1C[C@H](NN2CCC[C@H](C(=O)[O-])C2)CO1 ZINC000831072340 712595350 /nfs/dbraw/zinc/59/53/50/712595350.db2.gz NCZQPOZNDBQQOT-UTLUCORTSA-N -1 0 228.292 0.465 20 0 BCADRM C[C@H]1C[C@@H](NN2CCC(C)(C(=O)[O-])CC2)CO1 ZINC000831072565 712595357 /nfs/dbraw/zinc/59/53/57/712595357.db2.gz PKFUBGDKKWPHMM-VHSXEESVSA-N -1 0 242.319 0.855 20 0 BCADRM COC/C=C\C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000870234071 712623623 /nfs/dbraw/zinc/62/36/23/712623623.db2.gz RIQOMKXFHAYTQP-DAXSKMNVSA-N 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BCADRM CCC(CC)(NC(=O)COC1CC1)C(=O)[O-] ZINC000717721422 712666428 /nfs/dbraw/zinc/66/64/28/712666428.db2.gz ATNIOGDHUZPTTP-UHFFFAOYSA-N -1 0 229.276 0.925 20 0 BCADRM CC(C)OCCC(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000717702121 712665624 /nfs/dbraw/zinc/66/56/24/712665624.db2.gz MDUMXMPKIAICQG-UHFFFAOYSA-N -1 0 241.287 0.877 20 0 BCADRM O=C([O-])CCCNC(=O)COC1CC1 ZINC000717738110 712669331 /nfs/dbraw/zinc/66/93/31/712669331.db2.gz POZWYTAFYJVJQQ-UHFFFAOYSA-N -1 0 201.222 0.146 20 0 BCADRM O=C([O-])[C@H](O)CNC(=O)OC1CCCC1 ZINC000380018234 712670821 /nfs/dbraw/zinc/67/08/21/712670821.db2.gz NPEIOXBCDSTSCL-SSDOTTSWSA-N -1 0 217.221 0.101 20 0 BCADRM CC[C@](C)(NC(=O)COC1CC1)C(=O)[O-] ZINC000717752664 712672749 /nfs/dbraw/zinc/67/27/49/712672749.db2.gz ATLYYXLCYIYSHC-JTQLQIEISA-N -1 0 215.249 0.535 20 0 BCADRM C[C@@]1(C(=O)[O-])CCN(C(=O)COC2CC2)C1 ZINC000717760791 712673953 /nfs/dbraw/zinc/67/39/53/712673953.db2.gz QKMFHMOJOMXNDH-LLVKDONJSA-N -1 0 227.260 0.489 20 0 BCADRM 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241.287 0.735 20 0 BCADRM CS/C=C\C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000380232133 712835062 /nfs/dbraw/zinc/83/50/62/712835062.db2.gz UYQFGMNTPZLMGZ-WLFSLNMXSA-N -1 0 245.300 0.564 20 0 BCADRM C[C@@H](C(=O)NCCCC(=O)[O-])[C@H]1CCCO1 ZINC000720555020 712850412 /nfs/dbraw/zinc/85/04/12/712850412.db2.gz JSBWQFBXOFLBLV-RKDXNWHRSA-N -1 0 229.276 0.783 20 0 BCADRM O=C([O-])CNC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720549963 712850453 /nfs/dbraw/zinc/85/04/53/712850453.db2.gz JCULVJUVVVORGI-HRDYMLBCSA-N -1 0 242.275 0.328 20 0 BCADRM CC(C)n1cc(CN=c2[n-]ncn2C)nn1 ZINC000381318283 710622378 /nfs/dbraw/zinc/62/23/78/710622378.db2.gz NWBZSYLFWWHAFA-UHFFFAOYSA-N -1 0 221.268 0.022 20 0 BCADRM O=C([O-])c1ccc(NCCCn2cncn2)nc1 ZINC000381695947 710677143 /nfs/dbraw/zinc/67/71/43/710677143.db2.gz NKASHUIBMDZJMY-UHFFFAOYSA-N -1 0 247.258 0.295 20 0 BCADRM C[C@@H]1OCCN(c2cc(C(=O)[O-])ncn2)[C@H]1C ZINC000380377713 712900216 /nfs/dbraw/zinc/90/02/16/712900216.db2.gz KCSXIKAHGISILK-YUMQZZPRSA-N -1 0 237.259 0.788 20 0 BCADRM C[C@H]1OCCN(c2cc(C(=O)[O-])ncn2)[C@H]1C ZINC000380377709 712900238 /nfs/dbraw/zinc/90/02/38/712900238.db2.gz KCSXIKAHGISILK-JGVFFNPUSA-N -1 0 237.259 0.788 20 0 BCADRM CC[C@@H](CNc1ncncc1C#N)C(=O)[O-] ZINC000380465280 712900807 /nfs/dbraw/zinc/90/08/07/712900807.db2.gz AXIRUAMYCBHHTJ-ZETCQYMHSA-N -1 0 220.232 0.293 20 0 BCADRM O=C([O-])Cc1occc1C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000380430055 712900980 /nfs/dbraw/zinc/90/09/80/712900980.db2.gz WMSOFIKTKGDFPG-OCAPTIKFSA-N -1 0 235.239 0.999 20 0 BCADRM C[C@@H]1CCN(C(=O)COCC(=O)[O-])[C@@H]1C ZINC000380538892 712901434 /nfs/dbraw/zinc/90/14/34/712901434.db2.gz BBJRURPLUAQKGK-HTQZYQBOSA-N -1 0 215.249 0.345 20 0 BCADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@@H](O)C2)CCC1 ZINC000902006920 710876095 /nfs/dbraw/zinc/87/60/95/710876095.db2.gz MPVTYWPJPFMGFL-OCAPTIKFSA-N -1 0 227.260 0.271 20 0 BCADRM CC/C=C(\F)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000902092175 710877491 /nfs/dbraw/zinc/87/74/91/710877491.db2.gz SQQMCMODGIOCMZ-BAQGIRSFSA-N -1 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/nfs/dbraw/zinc/08/17/16/711081716.db2.gz OTOWYCRETMURRZ-PLNGDYQASA-N -1 0 210.237 0.455 20 0 BCADRM C[C@H](NC(=O)NCCCC(=O)[O-])C(F)F ZINC000389664776 711085921 /nfs/dbraw/zinc/08/59/21/711085921.db2.gz MACBZIVEEXDLSY-YFKPBYRVSA-N -1 0 224.207 0.804 20 0 BCADRM C/C=C(/CC)C(=O)NCCc1n[n-]c(=N)o1 ZINC000390166183 711107159 /nfs/dbraw/zinc/10/71/59/711107159.db2.gz FCPZXJGRBAUCND-CLTKARDFSA-N -1 0 224.264 0.497 20 0 BCADRM CC(C)C[C@@H](O)CNC(=O)C1(C(=O)[O-])CC1 ZINC000390354504 711112537 /nfs/dbraw/zinc/11/25/37/711112537.db2.gz QDEKXAIKFKAZIU-MRVPVSSYSA-N -1 0 229.276 0.374 20 0 BCADRM CCCN(C)C(=O)N[C@@H](COCC)C(=O)[O-] ZINC000390366502 711113815 /nfs/dbraw/zinc/11/38/15/711113815.db2.gz UJZTVBGYOPONCI-QMMMGPOBSA-N -1 0 232.280 0.528 20 0 BCADRM COCCCCNc1cc(C(=O)[O-])ncn1 ZINC000390473959 711118875 /nfs/dbraw/zinc/11/88/75/711118875.db2.gz IGKVERYPLGEQPL-UHFFFAOYSA-N -1 0 225.248 0.435 20 0 BCADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CSC)C1 ZINC000390598262 711127746 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711207533 /nfs/dbraw/zinc/20/75/33/711207533.db2.gz RJMPWBPQFSSSSD-MRVPVSSYSA-N -1 0 244.291 0.574 20 0 BCADRM CC[C@H](CNC(=O)c1ccc(C)nn1)C(=O)[O-] ZINC000396423029 711219691 /nfs/dbraw/zinc/21/96/91/711219691.db2.gz JOOWWDXBETWEEQ-MRVPVSSYSA-N -1 0 237.259 0.626 20 0 BCADRM N#Cc1cnnc(NCCCCC(=O)[O-])c1 ZINC000396339271 711220053 /nfs/dbraw/zinc/22/00/53/711220053.db2.gz JXCVQNXIBYIOBW-UHFFFAOYSA-N -1 0 220.232 0.437 20 0 BCADRM CC[C@H](CNC(=O)c1ccncn1)C(=O)[O-] ZINC000396460823 711220829 /nfs/dbraw/zinc/22/08/29/711220829.db2.gz FCZSFSQFWDLEFL-SSDOTTSWSA-N -1 0 223.232 0.317 20 0 BCADRM C[C@@H](NC(=O)N[C@H]1COC(C)(C)C1)C(=O)[O-] ZINC000396457934 711221085 /nfs/dbraw/zinc/22/10/85/711221085.db2.gz IDPGPQRGMSCWKT-RNFRBKRXSA-N -1 0 230.264 0.326 20 0 BCADRM CN(CCC(=O)[O-])c1cc(C#N)cnn1 ZINC000396573241 711352841 /nfs/dbraw/zinc/35/28/41/711352841.db2.gz PJVSLMJIPGZWFL-UHFFFAOYSA-N -1 0 206.205 0.259 20 0 BCADRM N#Cc1cnnc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000396574539 711354533 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C[C@@H](CCCCO)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000398508535 711411851 /nfs/dbraw/zinc/41/18/51/711411851.db2.gz GVKRLIWPWSWXCR-AEJSXWLSSA-N -1 0 243.303 0.765 20 0 BCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2cc(C#N)cnn2)C1 ZINC000398863578 711415618 /nfs/dbraw/zinc/41/56/18/711415618.db2.gz RWELBHVNDZMMQF-SCZZXKLOSA-N -1 0 246.270 0.895 20 0 BCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2cc(C#N)cnn2)C1 ZINC000398863580 711416403 /nfs/dbraw/zinc/41/64/03/711416403.db2.gz RWELBHVNDZMMQF-WCBMZHEXSA-N -1 0 246.270 0.895 20 0 BCADRM CC1(C(=O)[O-])CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000399164078 711422820 /nfs/dbraw/zinc/42/28/20/711422820.db2.gz CREOICFMOLAFNL-BRPSZJMVSA-N -1 0 223.272 0.966 20 0 BCADRM C[C@@H](C(=O)N1CC(C)(C(=O)[O-])C1)n1cccn1 ZINC000399186457 711423061 /nfs/dbraw/zinc/42/30/61/711423061.db2.gz VQWVNYCWWIYQFL-QMMMGPOBSA-N -1 0 237.259 0.377 20 0 BCADRM C[C@H]1COCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC000399159874 711423665 /nfs/dbraw/zinc/42/36/65/711423665.db2.gz LQVGATDYTOIMNI-MRVPVSSYSA-N 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241.287 0.517 20 0 BCADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCc1ccccn1 ZINC000397090896 711376331 /nfs/dbraw/zinc/37/63/31/711376331.db2.gz VPZXFRCIVIELID-WDEREUQCSA-N -1 0 248.282 0.851 20 0 BCADRM Cn1cc(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cn1 ZINC000397212866 711379417 /nfs/dbraw/zinc/37/94/17/711379417.db2.gz YGAMVOKDZIHQRC-RKDXNWHRSA-N -1 0 237.259 0.147 20 0 BCADRM C[C@@]1(O)CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1 ZINC000397502969 711382287 /nfs/dbraw/zinc/38/22/87/711382287.db2.gz SZKSRDCEUHPUSQ-VHSKPIJISA-N -1 0 227.260 0.081 20 0 BCADRM C[C@@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1cn[nH]c1 ZINC000397493937 711383986 /nfs/dbraw/zinc/38/39/86/711383986.db2.gz NUSWFCAMIRSTLJ-VDAHYXPESA-N -1 0 237.259 0.698 20 0 BCADRM CCN(CC(=O)[O-])C(=O)N[C@@H]1CSC[C@@H]1C ZINC000397810736 711393089 /nfs/dbraw/zinc/39/30/89/711393089.db2.gz GLZXMJZKNOEYOV-JGVFFNPUSA-N -1 0 246.332 0.854 20 0 BCADRM CC(C)(C(=O)[O-])C(=O)NCCOC(F)(F)F ZINC000398243946 711405082 /nfs/dbraw/zinc/40/50/82/711405082.db2.gz 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711744806 /nfs/dbraw/zinc/74/48/06/711744806.db2.gz GFJDZZSJABJZML-UHFFFAOYSA-N -1 0 221.216 0.023 20 0 BCADRM C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1CC(=O)[O-] ZINC000722446331 711757809 /nfs/dbraw/zinc/75/78/09/711757809.db2.gz XQXBCNVKNJCUSX-RKDXNWHRSA-N -1 0 249.270 0.659 20 0 BCADRM C[C@@H]1CN(C(=O)c2c[nH]cn2)C[C@H]1CC(=O)[O-] ZINC000722449038 711758007 /nfs/dbraw/zinc/75/80/07/711758007.db2.gz KHZIWNMSFIOATD-HTQZYQBOSA-N -1 0 237.259 0.593 20 0 BCADRM C[C@@H]1CCN(C(=O)CCCCC(=O)[O-])[C@@H]1CO ZINC000226920225 711758707 /nfs/dbraw/zinc/75/87/07/711758707.db2.gz DPRJNLZBXVTDBA-NXEZZACHSA-N -1 0 243.303 0.861 20 0 BCADRM CC[C@@](C)(CN1CCOC[C@@H]1C(=O)[O-])OC ZINC000318948566 711760030 /nfs/dbraw/zinc/76/00/30/711760030.db2.gz ATMWAMDBDFOXTC-KOLCDFICSA-N -1 0 231.292 0.587 20 0 BCADRM CC(C)C1CCN(C(=O)COCC(=O)[O-])CC1 ZINC000232581797 711760827 /nfs/dbraw/zinc/76/08/27/711760827.db2.gz XWGVYOSMECWLGD-UHFFFAOYSA-N -1 0 243.303 0.982 20 0 BCADRM CC(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1 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ZINC000650773519 410424160 /nfs/dbraw/zinc/42/41/60/410424160.db2.gz YSLMXBUSVLJKMI-NXEZZACHSA-N -1 0 238.243 0.027 20 0 BCADRM CO[C@@H](C(=O)NC1(C(=O)[O-])CCC1)C1CCC1 ZINC000668278261 487616523 /nfs/dbraw/zinc/61/65/23/487616523.db2.gz ARCUVSHNUOHLEU-SECBINFHSA-N -1 0 241.287 0.925 20 0 BCADRM CO[C@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)C1CC1 ZINC000668278178 487616573 /nfs/dbraw/zinc/61/65/73/487616573.db2.gz ZLQLBXOSMGSZCY-JOYOIKCWSA-N -1 0 241.287 0.735 20 0 BCADRM CCN(CC)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000128297028 169753001 /nfs/dbraw/zinc/75/30/01/169753001.db2.gz KEKKFJQAQISMFZ-VIFPVBQESA-N -1 0 244.291 0.624 20 0 BCADRM CNC(=O)c1ccc(=NC(=O)C2(C)CCC2)[n-]n1 ZINC000650817472 410525815 /nfs/dbraw/zinc/52/58/15/410525815.db2.gz DQKVJQBMKDKXGB-UHFFFAOYSA-N -1 0 248.286 0.387 20 0 BCADRM CNC(=O)c1ccc(=NC(=O)CC2CCC2)[n-]n1 ZINC000650817153 410526150 /nfs/dbraw/zinc/52/61/50/410526150.db2.gz UUHFLQYJBXXFMX-UHFFFAOYSA-N -1 0 248.286 0.387 20 0 BCADRM Cn1ncc(C2CC2)c1C(=O)NCC(=O)[O-] ZINC000659116661 410664266 /nfs/dbraw/zinc/66/42/66/410664266.db2.gz CGMMXCPOGBLWQT-UHFFFAOYSA-N -1 0 223.232 0.112 20 0 BCADRM CC1(C(=O)Nc2cnn(CC(=O)[O-])c2)CC1 ZINC000309255837 410667679 /nfs/dbraw/zinc/66/76/79/410667679.db2.gz CHGDEEGLMQUOEL-UHFFFAOYSA-N -1 0 223.232 0.706 20 0 BCADRM Cc1ccc(CNC(=O)NCC(=O)[O-])o1 ZINC000053041362 410635531 /nfs/dbraw/zinc/63/55/31/410635531.db2.gz QEVYTOOWUUBQBL-UHFFFAOYSA-N -1 0 212.205 0.472 20 0 BCADRM CO[C@@H](C)CNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653285945 410646608 /nfs/dbraw/zinc/64/66/08/410646608.db2.gz BSPVVMJTXYHCIX-CABZTGNLSA-N -1 0 241.287 0.949 20 0 BCADRM CO[C@@H](C(=O)NC(C)(C)C(=O)[O-])[C@H]1CCOC1 ZINC000659123465 410690539 /nfs/dbraw/zinc/69/05/39/410690539.db2.gz RCVTZTOCFAAPTB-JGVFFNPUSA-N -1 0 245.275 0.017 20 0 BCADRM CC[C@H](C)[C@H](NC(=O)[C@H](COC)OC)C(=O)[O-] ZINC000659124282 410698826 /nfs/dbraw/zinc/69/88/26/410698826.db2.gz MWFGGLJJDQXFQS-CIUDSAMLSA-N -1 0 247.291 0.263 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)c1c(Cl)cnn1C ZINC000659126302 410708383 /nfs/dbraw/zinc/70/83/83/410708383.db2.gz OOTGOBRSEHBYCB-RXMQYKEDSA-N -1 0 245.666 0.619 20 0 BCADRM C[C@@H](NC(=O)Cn1cc(C2CC2)cn1)C(=O)[O-] ZINC000659129874 410720071 /nfs/dbraw/zinc/72/00/71/410720071.db2.gz AYJXEEDOFNTUAP-SSDOTTSWSA-N -1 0 237.259 0.350 20 0 BCADRM CC(=O)NCCN(C)c1ncccc1C(=O)[O-] ZINC000308120275 410688441 /nfs/dbraw/zinc/68/84/41/410688441.db2.gz FZBQOUNBEGYGLW-UHFFFAOYSA-N -1 0 237.259 0.352 20 0 BCADRM CO[C@H](CNC(=O)N1CC(C(=O)[O-])C1)C1CC1 ZINC000393578576 410752284 /nfs/dbraw/zinc/75/22/84/410752284.db2.gz YDPKWGVRSOIHEL-SECBINFHSA-N -1 0 242.275 0.137 20 0 BCADRM CN(CC1CC1)S(=O)(=O)c1ncc[n-]1 ZINC000393670693 410755238 /nfs/dbraw/zinc/75/52/38/410755238.db2.gz KILWCGWHTHRHTQ-UHFFFAOYSA-N -1 0 215.278 0.440 20 0 BCADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](COC)OC ZINC000659136669 410755574 /nfs/dbraw/zinc/75/55/74/410755574.db2.gz BEZQMNKPFHFMRE-RKDXNWHRSA-N -1 0 247.291 0.360 20 0 BCADRM CC(C)CCN(C)C(=O)N=c1ncn(C)[n-]1 ZINC000653296763 410765468 /nfs/dbraw/zinc/76/54/68/410765468.db2.gz LTFJLNCNIXQTBG-UHFFFAOYSA-N -1 0 225.296 0.747 20 0 BCADRM O=C([O-])C1(NC(=O)CCCF)CCC1 ZINC000659137346 410766495 /nfs/dbraw/zinc/76/64/95/410766495.db2.gz JBKCSFXXLNVUSU-UHFFFAOYSA-N -1 0 203.213 0.860 20 0 BCADRM CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000308817833 410772281 /nfs/dbraw/zinc/77/22/81/410772281.db2.gz BABBITCALZGZBQ-DTWKUNHWSA-N -1 0 211.261 0.966 20 0 BCADRM CC[C@@H](CCO)CNS(=O)(=O)c1ncc[n-]1 ZINC000309307039 410790466 /nfs/dbraw/zinc/79/04/66/410790466.db2.gz ZXAUXUOJCHLEFN-QMMMGPOBSA-N -1 0 247.320 0.097 20 0 BCADRM O=C([O-])[C@]1(C(=O)N2CCOCC2)CC=CCC1 ZINC000653299355 410816555 /nfs/dbraw/zinc/81/65/55/410816555.db2.gz QALGFYIDYSYAIQ-GFCCVEGCSA-N -1 0 239.271 0.656 20 0 BCADRM CCNC(=O)CNC(=O)C(CC)(CC)C(=O)[O-] ZINC000653299897 410829586 /nfs/dbraw/zinc/82/95/86/410829586.db2.gz HESWHLKTTKGLTF-UHFFFAOYSA-N -1 0 244.291 0.130 20 0 BCADRM CC1(C)CC[C@H]1C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000659140386 410854761 /nfs/dbraw/zinc/85/47/61/410854761.db2.gz PMPLNOJXSHGQFC-UFBFGSQYSA-N -1 0 241.287 0.783 20 0 BCADRM CO[C@@H]1CC[C@@H](C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000659143887 410886567 /nfs/dbraw/zinc/88/65/67/410886567.db2.gz PMAGGPFUBGJFCL-KXUCPTDWSA-N -1 0 241.287 0.735 20 0 BCADRM CC[C@@H](CNC(=O)c1ccnc(C)n1)C(=O)[O-] ZINC000396421602 410881501 /nfs/dbraw/zinc/88/15/01/410881501.db2.gz HTEWWOWYIUIAPI-QMMMGPOBSA-N -1 0 237.259 0.626 20 0 BCADRM CC(C)NC(=O)CCCC(=O)N(C)CC(=O)[O-] ZINC000236626599 167036502 /nfs/dbraw/zinc/03/65/02/167036502.db2.gz DZZZXCFQPVTWKC-UHFFFAOYSA-N -1 0 244.291 0.224 20 0 BCADRM CC(C)NC(=O)C[N-]C(=O)C(F)(F)F ZINC000070233316 167054493 /nfs/dbraw/zinc/05/44/93/167054493.db2.gz KBKBTLOHCHGIAI-UHFFFAOYSA-N -1 0 212.171 0.190 20 0 BCADRM CC(C)OCC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000162879826 167179789 /nfs/dbraw/zinc/17/97/89/167179789.db2.gz HQTDNVCDTZSVNM-MRVPVSSYSA-N -1 0 217.265 0.591 20 0 BCADRM CC(C)OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000139214263 167189600 /nfs/dbraw/zinc/18/96/00/167189600.db2.gz WVDHOCGOQDOLLT-VIFPVBQESA-N -1 0 217.265 0.637 20 0 BCADRM CC(C)O[N-]C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000293848661 167278565 /nfs/dbraw/zinc/27/85/65/167278565.db2.gz CLJUSZYCFKNUOA-QMMMGPOBSA-N -1 0 240.259 0.854 20 0 BCADRM CC(C)O[N-]C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000295713589 167278832 /nfs/dbraw/zinc/27/88/32/167278832.db2.gz PNZYZZNCGXAGLX-QMMMGPOBSA-N -1 0 240.259 0.854 20 0 BCADRM O=C(NCc1nnn[n-]1)[C@@H]1C[C@H]1C1CCC1 ZINC000651307299 410912946 /nfs/dbraw/zinc/91/29/46/410912946.db2.gz SQHUFXQQRSKOPZ-JGVFFNPUSA-N -1 0 221.264 0.252 20 0 BCADRM CC(C)[C@@H](C)C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000128212456 167348446 /nfs/dbraw/zinc/34/84/46/167348446.db2.gz VYQVMDYTOYWXRA-NXEZZACHSA-N -1 0 243.303 0.981 20 0 BCADRM CC(C)[C@@H](C)NC(=O)NCCC(=O)[O-] ZINC000040548006 167375803 /nfs/dbraw/zinc/37/58/03/167375803.db2.gz RPQKNVBSUPEQJN-SSDOTTSWSA-N -1 0 202.254 0.805 20 0 BCADRM C[C@@H]1CSC[C@H]1Nc1cncc(C(=O)[O-])n1 ZINC000397746019 410933803 /nfs/dbraw/zinc/93/38/03/410933803.db2.gz YVWHRIOLLCGQGZ-HTRCEHHLSA-N -1 0 239.300 0.760 20 0 BCADRM CCN(CC)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000011569107 169792953 /nfs/dbraw/zinc/79/29/53/169792953.db2.gz ZOKKEDFLMMGQAP-ZETCQYMHSA-N -1 0 223.294 0.379 20 0 BCADRM O=C([O-])COCCNC(=O)C1CC2(CC2)C1 ZINC000659150663 410985111 /nfs/dbraw/zinc/98/51/11/410985111.db2.gz COZSTEKITFPHNQ-UHFFFAOYSA-N -1 0 227.260 0.394 20 0 BCADRM CC(C)c1n[n-]c(=NCC[C@@]2(O)CCOC2)o1 ZINC000651414274 410996203 /nfs/dbraw/zinc/99/62/03/410996203.db2.gz CCKRYZRALAKGAY-LLVKDONJSA-N -1 0 241.291 0.568 20 0 BCADRM O=C([O-])c1cc(N2CCC[C@H]2CO)ccn1 ZINC000042435032 411007397 /nfs/dbraw/zinc/00/73/97/411007397.db2.gz YMHMWZZMVCOKHF-VIFPVBQESA-N -1 0 222.244 0.741 20 0 BCADRM Cc1nc(=N[C@@H](CO)CCF)s[n-]1 ZINC000651462346 411044826 /nfs/dbraw/zinc/04/48/26/411044826.db2.gz XLLHVLAVLNJLDS-ZCFIWIBFSA-N -1 0 205.258 0.401 20 0 BCADRM CO[C@H](C)c1nc(=N[C@H](CO)CCF)s[n-]1 ZINC000651463665 411048326 /nfs/dbraw/zinc/04/83/26/411048326.db2.gz YYMMFSWCLKHIGJ-RQJHMYQMSA-N -1 0 249.311 0.800 20 0 BCADRM Cc1n[n-]c(=NCC[C@]2(O)CCCOC2)o1 ZINC000651470223 411051065 /nfs/dbraw/zinc/05/10/65/411051065.db2.gz MIENTFPBYPEIDE-SNVBAGLBSA-N -1 0 227.264 0.143 20 0 BCADRM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)CCCF)C1 ZINC000659160158 411079000 /nfs/dbraw/zinc/07/90/00/411079000.db2.gz FYJNMYHNCLCKFC-BDAKNGLRSA-N -1 0 247.266 0.827 20 0 BCADRM CO[C@H]1CC[C@H](C(=O)NCC2(C(=O)[O-])CC2)C1 ZINC000659153526 411034180 /nfs/dbraw/zinc/03/41/80/411034180.db2.gz MRVIVCCRNCGWSW-IUCAKERBSA-N -1 0 241.287 0.783 20 0 BCADRM COCCN(C)c1ncncc1C(=O)[O-] ZINC000300936499 411128294 /nfs/dbraw/zinc/12/82/94/411128294.db2.gz RQTSVYCXBFQDEY-UHFFFAOYSA-N -1 0 211.221 0.257 20 0 BCADRM Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc1 ZINC000659174289 411144538 /nfs/dbraw/zinc/14/45/38/411144538.db2.gz JPGJQKISZIONCQ-MNOVXSKESA-N -1 0 249.266 0.967 20 0 BCADRM CC(C)[C@H](CNC(=O)Cc1ccon1)C(=O)[O-] ZINC000655564319 411151616 /nfs/dbraw/zinc/15/16/16/411151616.db2.gz FRHDZYHNPVBARG-VIFPVBQESA-N -1 0 240.259 0.690 20 0 BCADRM CC[C@H]1CN(c2cncc(C(=O)[O-])n2)C[C@H]1O ZINC000400436913 411151853 /nfs/dbraw/zinc/15/18/53/411151853.db2.gz HABUSWZLNIZRPZ-IONNQARKSA-N -1 0 237.259 0.382 20 0 BCADRM CC[C@H]1CN(c2cncc(C(=O)[O-])n2)C[C@@H]1O ZINC000400436906 411152275 /nfs/dbraw/zinc/15/22/75/411152275.db2.gz HABUSWZLNIZRPZ-CBAPKCEASA-N -1 0 237.259 0.382 20 0 BCADRM COCC1(CNC(=O)NCCCC(=O)[O-])CC1 ZINC000655878543 411152341 /nfs/dbraw/zinc/15/23/41/411152341.db2.gz FJPJDNXLRSXNEM-UHFFFAOYSA-N -1 0 244.291 0.577 20 0 BCADRM C[C@H](CNC(=O)NC1CC(F)(F)C1)C(=O)[O-] ZINC000655877451 411152475 /nfs/dbraw/zinc/15/24/75/411152475.db2.gz XGGFMSRKKLNNQE-RXMQYKEDSA-N -1 0 236.218 0.804 20 0 BCADRM C[C@H](O)CN(C(=O)NCCCC(=O)[O-])C1CC1 ZINC000655880696 411152529 /nfs/dbraw/zinc/15/25/29/411152529.db2.gz XJVBZCUXENAEGU-QMMMGPOBSA-N -1 0 244.291 0.406 20 0 BCADRM C[C@@H](CNC(=O)NC[C@H]1CCC[C@@H]1O)C(=O)[O-] ZINC000655882820 411152990 /nfs/dbraw/zinc/15/29/90/411152990.db2.gz PEDFPPWSLAKVRT-YIZRAAEISA-N -1 0 244.291 0.167 20 0 BCADRM CC[C@H](NC(=O)NC[C@@H](C)C(=O)[O-])C(C)(C)O ZINC000655881324 411152995 /nfs/dbraw/zinc/15/29/95/411152995.db2.gz KXBUPDKOULWQQM-SFYZADRCSA-N -1 0 246.307 0.556 20 0 BCADRM C[C@@H](CCO)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655885645 411153390 /nfs/dbraw/zinc/15/33/90/411153390.db2.gz SAUUEUWGOWTJFL-YUMQZZPRSA-N -1 0 232.280 0.025 20 0 BCADRM C[C@H](CCO)CCNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655881970 411153413 /nfs/dbraw/zinc/15/34/13/411153413.db2.gz SGFDCRBJOKUSGT-IUCAKERBSA-N -1 0 246.307 0.415 20 0 BCADRM C[C@@H](CNC(=O)N1CC[C@H](F)C1)C(=O)[O-] ZINC000655882507 411153635 /nfs/dbraw/zinc/15/36/35/411153635.db2.gz YOTVQGONIDKWSB-BQBZGAKWSA-N -1 0 218.228 0.461 20 0 BCADRM COCC1(NC(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000655886454 411153782 /nfs/dbraw/zinc/15/37/82/411153782.db2.gz CULHFJFQFYJGBL-SSDOTTSWSA-N -1 0 230.264 0.185 20 0 BCADRM C[C@H](CCCO)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655881980 411153999 /nfs/dbraw/zinc/15/39/99/411153999.db2.gz SIYPSCPIDWPBAF-BDAKNGLRSA-N -1 0 246.307 0.415 20 0 BCADRM C[C@H](C[C@H](C)O)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655890021 411154702 /nfs/dbraw/zinc/15/47/02/411154702.db2.gz XXBWMGMOKPVGAG-RNJXMRFFSA-N -1 0 232.280 0.166 20 0 BCADRM CC[C@@](C)(CCO)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655889580 411154816 /nfs/dbraw/zinc/15/48/16/411154816.db2.gz STMSXLGCUMXRTI-KCJUWKMLSA-N -1 0 246.307 0.557 20 0 BCADRM CC(C)[C@@H](CNC(=O)N[C@@H](C)CO)C(=O)[O-] ZINC000655894029 411155556 /nfs/dbraw/zinc/15/55/56/411155556.db2.gz USVAGRMQXHWLQO-JGVFFNPUSA-N -1 0 232.280 0.023 20 0 BCADRM CO[C@@H](CC(=O)N(C)CC(=O)[O-])C(F)(F)F ZINC000652051899 411097615 /nfs/dbraw/zinc/09/76/15/411097615.db2.gz VASBDDLCRSLQBF-YFKPBYRVSA-N -1 0 243.181 0.497 20 0 BCADRM CCN(CC(=O)[O-])C(=O)Cc1ccn(CC)n1 ZINC000652056082 411100105 /nfs/dbraw/zinc/10/01/05/411100105.db2.gz VUDBWSXHOQDTTR-UHFFFAOYSA-N -1 0 239.275 0.379 20 0 BCADRM CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000652121069 411121733 /nfs/dbraw/zinc/12/17/33/411121733.db2.gz UKJJTKGUEZYUIP-ZYUZMQFOSA-N -1 0 241.287 0.781 20 0 BCADRM NC(=O)[C@@H]1CCN(c2ccc(C(=O)[O-])cn2)C1 ZINC000300530984 411123249 /nfs/dbraw/zinc/12/32/49/411123249.db2.gz MACYWTXUVBKYTJ-MRVPVSSYSA-N -1 0 235.243 0.091 20 0 BCADRM CC1(C)C[C@H](NC(=O)C2CC(C(=O)[O-])C2)CO1 ZINC000659167451 411123745 /nfs/dbraw/zinc/12/37/45/411123745.db2.gz OLUQXRVHNHEUAP-HACHORDNSA-N -1 0 241.287 0.781 20 0 BCADRM CCc1cc(N2CCO[C@H](C(=O)[O-])C2)ncn1 ZINC000043710739 411125893 /nfs/dbraw/zinc/12/58/93/411125893.db2.gz CBSWRCWOLUBVHV-VIFPVBQESA-N -1 0 237.259 0.329 20 0 BCADRM CCCCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656004574 411167989 /nfs/dbraw/zinc/16/79/89/411167989.db2.gz FGIFDHKVLKJIGH-QMMMGPOBSA-N -1 0 244.291 0.130 20 0 BCADRM CCCCN(C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656004660 411168077 /nfs/dbraw/zinc/16/80/77/411168077.db2.gz PYJQKSPTGGTKEP-MRVPVSSYSA-N -1 0 244.291 0.082 20 0 BCADRM C[C@H](CO)N(C)c1ccnc(C(=O)[O-])c1 ZINC000124281968 411168743 /nfs/dbraw/zinc/16/87/43/411168743.db2.gz VEOSZFWXJVLTLQ-SSDOTTSWSA-N -1 0 210.233 0.597 20 0 BCADRM O=C([O-])CN(C(=O)[C@@H]1CCOC1)C1CCC1 ZINC000655594254 411169381 /nfs/dbraw/zinc/16/93/81/411169381.db2.gz QDYPAIGCJWXMFN-MRVPVSSYSA-N -1 0 227.260 0.489 20 0 BCADRM O=C([O-])CN(C(=O)c1csnn1)C1CCC1 ZINC000655593318 411169454 /nfs/dbraw/zinc/16/94/54/411169454.db2.gz GZRRWFQESAPJJO-UHFFFAOYSA-N -1 0 241.272 0.617 20 0 BCADRM Cc1noc(CN(C)C(=O)C2(C(=O)[O-])CC2)n1 ZINC000655597199 411169955 /nfs/dbraw/zinc/16/99/55/411169955.db2.gz QWSIMJUFAIUZNQ-UHFFFAOYSA-N -1 0 239.231 0.201 20 0 BCADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC000652777570 411172185 /nfs/dbraw/zinc/17/21/85/411172185.db2.gz SPUOVHAUEYGUIL-PRJMDXOYSA-N -1 0 237.259 0.473 20 0 BCADRM C[C@H](CNc1nc(C(N)=O)cs1)C(=O)[O-] ZINC000656091596 411173714 /nfs/dbraw/zinc/17/37/14/411173714.db2.gz FFQUFTZMOOGHAI-SCSAIBSYSA-N -1 0 229.261 0.375 20 0 BCADRM CC(C)[C@H](CNc1ccc2nncn2n1)C(=O)[O-] ZINC000656092957 411174003 /nfs/dbraw/zinc/17/40/03/411174003.db2.gz QIZNTUYFJOFVKY-QMMMGPOBSA-N -1 0 249.274 0.893 20 0 BCADRM C[C@H]1C[C@H](Nc2cncc(C(=O)[O-])n2)CO1 ZINC000401938481 411179125 /nfs/dbraw/zinc/17/91/25/411179125.db2.gz QRDYALOYGFUXHZ-BQBZGAKWSA-N -1 0 223.232 0.764 20 0 BCADRM CC[C@@H]1CN(C(=O)C(=O)[O-])[C@H](CC)CO1 ZINC000404093083 411182430 /nfs/dbraw/zinc/18/24/30/411182430.db2.gz RMEPABWEVFGVOW-HTQZYQBOSA-N -1 0 215.249 0.487 20 0 BCADRM CO[C@@H](C(=O)N[C@@H](C)CC(=O)[O-])C1CCC1 ZINC000659760668 411194463 /nfs/dbraw/zinc/19/44/63/411194463.db2.gz QOFNHPVKRSZARW-OIBJUYFYSA-N -1 0 229.276 0.781 20 0 BCADRM C[C@H](CO)N(C)C(=O)NCCCCC(=O)[O-] ZINC000124453323 411201961 /nfs/dbraw/zinc/20/19/61/411201961.db2.gz NYUNHNRPSLCBGO-MRVPVSSYSA-N -1 0 232.280 0.264 20 0 BCADRM COCC(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000048631564 411205561 /nfs/dbraw/zinc/20/55/61/411205561.db2.gz JTPUYPFOEUEKQE-SNVBAGLBSA-N -1 0 229.276 0.783 20 0 BCADRM Cn1[n-]nnc1=N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000656207969 411209762 /nfs/dbraw/zinc/20/97/62/411209762.db2.gz LNPBPQCVQOSYDL-UWVGGRQHSA-N -1 0 237.307 0.392 20 0 BCADRM CO[C@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])C1CCC1 ZINC000659764852 411210801 /nfs/dbraw/zinc/21/08/01/411210801.db2.gz NRDFFCLFKRKWDL-SCZZXKLOSA-N -1 0 243.303 0.981 20 0 BCADRM C[C@@H]1C[C@@H](C)CN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000048722986 411211690 /nfs/dbraw/zinc/21/16/90/411211690.db2.gz VZGURTTUAYBWBJ-RNFRBKRXSA-N -1 0 224.264 0.628 20 0 BCADRM Cc1ccc(NC(=O)c2n[nH]c(=O)[n-]2)nc1 ZINC000048723218 411211987 /nfs/dbraw/zinc/21/19/87/411211987.db2.gz WDOJIEANBJRFPU-UHFFFAOYSA-N -1 0 219.204 0.466 20 0 BCADRM C[C@@H]1C[C@H](C)CN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000048722982 411212513 /nfs/dbraw/zinc/21/25/13/411212513.db2.gz VZGURTTUAYBWBJ-KNVOCYPGSA-N -1 0 224.264 0.628 20 0 BCADRM Cc1nc(NC(=O)c2n[nH]c(=O)[n-]2)sc1C ZINC000048727298 411213518 /nfs/dbraw/zinc/21/35/18/411213518.db2.gz GKRMUWSTJDLSPX-UHFFFAOYSA-N -1 0 239.260 0.836 20 0 BCADRM C[C@@H](CNC(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000659766649 411214052 /nfs/dbraw/zinc/21/40/52/411214052.db2.gz LAJLOGNBCVWVIZ-ZETCQYMHSA-N -1 0 237.259 0.280 20 0 BCADRM Cc1c[nH]cc(C(=O)NC[C@@H](C)C(=O)[O-])c1=O ZINC000656231242 411215298 /nfs/dbraw/zinc/21/52/98/411215298.db2.gz CHIFQXBBBMSWEU-SSDOTTSWSA-N -1 0 238.243 0.134 20 0 BCADRM O=C([O-])C1(CNC(=O)N2CCC2)CCOCC1 ZINC000310155233 411217309 /nfs/dbraw/zinc/21/73/09/411217309.db2.gz OINFUFBKGODBRV-UHFFFAOYSA-N -1 0 242.275 0.283 20 0 BCADRM COc1ccc(C(=O)NCC2(C(=O)[O-])CC2)o1 ZINC000656242469 411217327 /nfs/dbraw/zinc/21/73/27/411217327.db2.gz XWWLIDSMWUIWPR-UHFFFAOYSA-N -1 0 239.227 0.883 20 0 BCADRM O=C(NCc1nnn[n-]1)[C@H]1CC2CCC1CC2 ZINC000310219645 411225188 /nfs/dbraw/zinc/22/51/88/411225188.db2.gz DZTNLCAUQLEUJB-HACHORDNSA-N -1 0 235.291 0.642 20 0 BCADRM CCN(C(=O)c1cn(C)cn1)[C@H](C)C(=O)[O-] ZINC000659773277 411228515 /nfs/dbraw/zinc/22/85/15/411228515.db2.gz VXDBKPODUJOMJL-SSDOTTSWSA-N -1 0 225.248 0.355 20 0 BCADRM CCN(C(=O)CCOCCOC)[C@H](C)C(=O)[O-] ZINC000659773554 411229499 /nfs/dbraw/zinc/22/94/99/411229499.db2.gz XQQNPJIFQVCAPF-SECBINFHSA-N -1 0 247.291 0.361 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)C(=O)NCCc1ccco1 ZINC000054055283 411232334 /nfs/dbraw/zinc/23/23/34/411232334.db2.gz ARKSBMGOQLPPRY-QMMMGPOBSA-N -1 0 240.259 0.937 20 0 BCADRM C[C@@H](CNC(=O)N[C@@H]1CCCOCC1)C(=O)[O-] ZINC000310358533 411234576 /nfs/dbraw/zinc/23/45/76/411234576.db2.gz SRZSMRWKQMGPKD-DTWKUNHWSA-N -1 0 244.291 0.575 20 0 BCADRM Cc1noc(C)c1N(C)CCOCC(=O)[O-] ZINC000652416050 411235915 /nfs/dbraw/zinc/23/59/15/411235915.db2.gz AHLASMNORGQYDJ-UHFFFAOYSA-N -1 0 228.248 0.829 20 0 BCADRM C[C@H](O)[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC000310437911 411237761 /nfs/dbraw/zinc/23/77/61/411237761.db2.gz VAYQVLXGNRGXFP-JGVFFNPUSA-N -1 0 237.259 0.382 20 0 BCADRM Cn1nccc1[C@H](NC(=O)C1CC1)C(=O)[O-] ZINC000402491305 411237753 /nfs/dbraw/zinc/23/77/53/411237753.db2.gz BFVPJPWGXKQVGD-QMMMGPOBSA-N -1 0 223.232 0.072 20 0 BCADRM Cc1cc(C(=O)N(CC(=O)[O-])C2CCC2)ncn1 ZINC000655588592 411165909 /nfs/dbraw/zinc/16/59/09/411165909.db2.gz JOCGSWCIRFJRNX-UHFFFAOYSA-N -1 0 249.270 0.864 20 0 BCADRM CCC[C@@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655974353 411166145 /nfs/dbraw/zinc/16/61/45/411166145.db2.gz BAOGNTHBSSAQFO-JGVFFNPUSA-N -1 0 244.291 0.128 20 0 BCADRM CCN(C(=O)C1(C(=O)[O-])CC1)c1cnn(C)c1 ZINC000655589628 411166603 /nfs/dbraw/zinc/16/66/03/411166603.db2.gz ZHYWELNFPNBVBJ-UHFFFAOYSA-N -1 0 237.259 0.638 20 0 BCADRM C[C@@H](O[C@H](C)C(=O)NC1CC1)C(=O)[O-] ZINC000134062437 411269219 /nfs/dbraw/zinc/26/92/19/411269219.db2.gz MEBDKZIFUGPNER-PHDIDXHHSA-N -1 0 201.222 0.143 20 0 BCADRM C[C@@H](CO)C1CCN(C(=O)CCC(=O)[O-])CC1 ZINC000653334876 411327632 /nfs/dbraw/zinc/32/76/32/411327632.db2.gz IVEMFOPJVJUWGI-VIFPVBQESA-N -1 0 243.303 0.718 20 0 BCADRM O=C([O-])c1coc(N2CC[C@@H]3COC[C@@H]3C2)n1 ZINC000659787855 411274055 /nfs/dbraw/zinc/27/40/55/411274055.db2.gz RMQDIBAEINOLIY-SFYZADRCSA-N -1 0 238.243 0.846 20 0 BCADRM CC[C@H](C)NC(=O)C[C@]1(C(=O)[O-])CCOC1 ZINC000656481319 411281401 /nfs/dbraw/zinc/28/14/01/411281401.db2.gz RUHOYTRYSLSYPW-GZMMTYOYSA-N -1 0 229.276 0.783 20 0 BCADRM CC[C@H](C)NC(=O)C[C@@]1(C(=O)[O-])CCOC1 ZINC000656481322 411281696 /nfs/dbraw/zinc/28/16/96/411281696.db2.gz RUHOYTRYSLSYPW-KWQFWETISA-N -1 0 229.276 0.783 20 0 BCADRM C[C@H]1CCC[C@@H](CNC(=O)CCC(=O)[O-])O1 ZINC000656486550 411282070 /nfs/dbraw/zinc/28/20/70/411282070.db2.gz OOKMDQZCLVSLBO-IUCAKERBSA-N -1 0 229.276 0.925 20 0 BCADRM COC[C@H](O)CNc1ncccc1C(=O)[O-] ZINC000070652302 411284309 /nfs/dbraw/zinc/28/43/09/411284309.db2.gz KHDRUDWEXFMQTF-SSDOTTSWSA-N -1 0 226.232 0.199 20 0 BCADRM C[C@H](O)CN(C)c1ccnc(C(=O)[O-])c1 ZINC000051839741 411284994 /nfs/dbraw/zinc/28/49/94/411284994.db2.gz IZODEVRGIQBSTL-ZETCQYMHSA-N -1 0 210.233 0.597 20 0 BCADRM CC1(C(=O)[N-]OCc2cccnc2)COC1 ZINC000273037814 167871485 /nfs/dbraw/zinc/87/14/85/167871485.db2.gz GUSCMYROBDDZRM-UHFFFAOYSA-N -1 0 222.244 0.666 20 0 BCADRM CC(C)(C)CCNC(=O)NCCOCC(=O)[O-] ZINC000124227217 411333217 /nfs/dbraw/zinc/33/32/17/411333217.db2.gz VNMUUPDGHXLHSY-UHFFFAOYSA-N -1 0 246.307 0.823 20 0 BCADRM COC[C@H](C)NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601985223 411293058 /nfs/dbraw/zinc/29/30/58/411293058.db2.gz YLURBAKRQWBKKB-BIIVOSGPSA-N -1 0 249.332 0.732 20 0 BCADRM C[C@H](COCC1CC1)NC(=O)[C@@H](C)C(=O)[O-] ZINC000653335437 411329620 /nfs/dbraw/zinc/32/96/20/411329620.db2.gz POBWQKCQKWBLOA-HTQZYQBOSA-N -1 0 229.276 0.638 20 0 BCADRM C[C@@H](NC(N)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653473004 411295056 /nfs/dbraw/zinc/29/50/56/411295056.db2.gz ISFMIAKSUDDQFQ-DSYKOEDSSA-N -1 0 214.265 0.790 20 0 BCADRM CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C(=O)[O-] ZINC000653335656 411330341 /nfs/dbraw/zinc/33/03/41/411330341.db2.gz UCUNXVIFRSRGAA-IWSPIJDZSA-N -1 0 229.276 0.781 20 0 BCADRM COCCN(CCOC)C(=O)C(C)(C)C(=O)[O-] ZINC000215154178 411302209 /nfs/dbraw/zinc/30/22/09/411302209.db2.gz LASYSWHQCCXSFR-UHFFFAOYSA-N -1 0 247.291 0.219 20 0 BCADRM C[C@H]1CCC[C@@H](CNC(=O)NCC(=O)[O-])O1 ZINC000656597836 411305472 /nfs/dbraw/zinc/30/54/72/411305472.db2.gz VKGVXYRAOLZLBT-YUMQZZPRSA-N -1 0 230.264 0.328 20 0 BCADRM COCCCN(C)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000062051722 411305821 /nfs/dbraw/zinc/30/58/21/411305821.db2.gz BHJYHSOFOHZFGG-MRVPVSSYSA-N -1 0 232.280 0.385 20 0 BCADRM CC[C@H](C)CCNC(=O)N[C@@H](COC)C(=O)[O-] ZINC000656590110 411305948 /nfs/dbraw/zinc/30/59/48/411305948.db2.gz MGULZCYRPLRPIH-IUCAKERBSA-N -1 0 246.307 0.821 20 0 BCADRM CC(C)(F)CCNC(=O)N[C@@H](CF)C(=O)[O-] ZINC000656594393 411306013 /nfs/dbraw/zinc/30/60/13/411306013.db2.gz JGAPANUZPOPJAO-LURJTMIESA-N -1 0 238.234 0.847 20 0 BCADRM C[C@H]1CCC[C@@H](CNC(=O)N(C)CC(=O)[O-])O1 ZINC000656596501 411306086 /nfs/dbraw/zinc/30/60/86/411306086.db2.gz GJGFUTISZGPANK-IUCAKERBSA-N -1 0 244.291 0.670 20 0 BCADRM Cn1nccc1[C@@H](NC(=O)C1CC=CC1)C(=O)[O-] ZINC000402739455 411311065 /nfs/dbraw/zinc/31/10/65/411311065.db2.gz QLUBXYNTNQTGGZ-SNVBAGLBSA-N -1 0 249.270 0.628 20 0 BCADRM CNC(=O)[C@@H]([N-]c1nnc(C(C)C)o1)C(C)C ZINC000450390833 411319834 /nfs/dbraw/zinc/31/98/34/411319834.db2.gz MOIPOHYEXYMWOV-QMMMGPOBSA-N -1 0 240.307 1.376 20 0 BCADRM C[C@@H](NC(=O)[C@@H]1CCc2nccn2C1)C(=O)[O-] ZINC000655533497 411323255 /nfs/dbraw/zinc/32/32/55/411323255.db2.gz CQHUCQSYFMQVSK-HTQZYQBOSA-N -1 0 237.259 0.035 20 0 BCADRM C[C@H](NC(=O)[C@H]1CCc2nccn2C1)C(=O)[O-] ZINC000655533500 411323287 /nfs/dbraw/zinc/32/32/87/411323287.db2.gz CQHUCQSYFMQVSK-YUMQZZPRSA-N -1 0 237.259 0.035 20 0 BCADRM CC(C)(C)n1ccc(C(=O)NCCC(=O)[O-])n1 ZINC000655533702 411323604 /nfs/dbraw/zinc/32/36/04/411323604.db2.gz MLYOGBLWVUYKSG-UHFFFAOYSA-N -1 0 239.275 0.843 20 0 BCADRM COc1ccc(C(=O)NCCC(=O)[O-])o1 ZINC000655533736 411323653 /nfs/dbraw/zinc/32/36/53/411323653.db2.gz NMDWOMCCKGPSMZ-UHFFFAOYSA-N -1 0 213.189 0.493 20 0 BCADRM C[C@@H](NC(=O)c1ccn(C(C)(C)C)n1)C(=O)[O-] ZINC000655533913 411324735 /nfs/dbraw/zinc/32/47/35/411324735.db2.gz UPJPXMJDUMOSRS-SSDOTTSWSA-N -1 0 239.275 0.841 20 0 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ZINC000668281909 487622026 /nfs/dbraw/zinc/62/20/26/487622026.db2.gz FTVJXYFKKDJCAD-KYXWUPHJSA-N -1 0 241.287 0.781 20 0 BCADRM CC[C@H](C)[C@H](C(=O)[O-])N1CCOCC1 ZINC000041050427 171382671 /nfs/dbraw/zinc/38/26/71/171382671.db2.gz UJVRWTUOVAHSQP-DTWKUNHWSA-N -1 0 201.266 0.818 20 0 BCADRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCOC1)C(=O)[O-] ZINC000040929931 171398830 /nfs/dbraw/zinc/39/88/30/171398830.db2.gz DXDQCEXJTNCSRH-CIUDSAMLSA-N -1 0 229.276 0.638 20 0 BCADRM C[C@@H]1COCC[C@@H]1CNc1nc(C(=O)[O-])co1 ZINC000566292209 412141094 /nfs/dbraw/zinc/14/10/94/412141094.db2.gz YUQZAQBLIVQWBY-HTQZYQBOSA-N -1 0 240.259 1.457 20 0 BCADRM CCCCNC(=O)[C@@H](C)O[C@H](C)C(=O)[O-] ZINC000134166874 412109233 /nfs/dbraw/zinc/10/92/33/412109233.db2.gz ZVVOECMULRCORT-HTQZYQBOSA-N -1 0 217.265 0.781 20 0 BCADRM CCCNC(=O)[C@H](C)O[C@H](C)C(=O)[O-] ZINC000134182875 412114799 /nfs/dbraw/zinc/11/47/99/412114799.db2.gz VBCVQSHBHSXTGQ-NKWVEPMBSA-N -1 0 203.238 0.391 20 0 BCADRM C=CCSCCNc1ncc(C(=O)[O-])cn1 ZINC000380809444 412136288 /nfs/dbraw/zinc/13/62/88/412136288.db2.gz JJOFOOAWJMGKEH-UHFFFAOYSA-N -1 0 239.300 1.506 20 0 BCADRM CC[C@H](NC(=O)/C=C/c1cnccn1)C(=O)[O-] ZINC000268948649 171494875 /nfs/dbraw/zinc/49/48/75/171494875.db2.gz YCUGFHXOGOMKCM-NWALNABHSA-N -1 0 235.243 0.469 20 0 BCADRM C[C@H](CO)CNc1ncc(C(=O)[O-])s1 ZINC000379567481 412204622 /nfs/dbraw/zinc/20/46/22/412204622.db2.gz DOZUUBVXNQQGAY-YFKPBYRVSA-N -1 0 216.262 0.882 20 0 BCADRM CC[C@H](NC(=O)[C@H]1CCCCO1)C(=O)[O-] ZINC000050959295 171507609 /nfs/dbraw/zinc/50/76/09/171507609.db2.gz PGRYEVGVKVKBBK-JGVFFNPUSA-N -1 0 215.249 0.535 20 0 BCADRM C[C@@](O)(CNc1ncnc2c1CCC2)C(=O)[O-] ZINC000514865431 412171946 /nfs/dbraw/zinc/17/19/46/412171946.db2.gz UPGGEJBEAMXRBD-LLVKDONJSA-N -1 0 237.259 0.213 20 0 BCADRM C[C@@](O)(CNc1nc(C(=O)[O-])co1)C1CC1 ZINC000390148028 412172011 /nfs/dbraw/zinc/17/20/11/412172011.db2.gz RXUVHUFUSYDCBN-SNVBAGLBSA-N -1 0 226.232 0.946 20 0 BCADRM CC(C)(CCNc1ccc2nncn2n1)C(=O)[O-] ZINC000424371861 412254460 /nfs/dbraw/zinc/25/44/60/412254460.db2.gz GWKHRQDDDCIWQF-UHFFFAOYSA-N -1 0 249.274 1.037 20 0 BCADRM C[C@@H](O)CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665320712 412255685 /nfs/dbraw/zinc/25/56/85/412255685.db2.gz RPJLBQGWFUTNPE-VXNVDRBHSA-N -1 0 244.291 0.167 20 0 BCADRM C[C@@H](O)CNC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665320711 412255758 /nfs/dbraw/zinc/25/57/58/412255758.db2.gz RPJLBQGWFUTNPE-APPZFPTMSA-N -1 0 244.291 0.167 20 0 BCADRM O=C([O-])[C@H](CNC(=O)NCCF)C1CCC1 ZINC000665320412 412256596 /nfs/dbraw/zinc/25/65/96/412256596.db2.gz LPCMBLGBHMVQOL-MRVPVSSYSA-N -1 0 232.255 0.756 20 0 BCADRM N#Cc1ccc(NC2(CC(=O)[O-])CCC2)nn1 ZINC000396346989 412266673 /nfs/dbraw/zinc/26/66/73/412266673.db2.gz RHAUFHZKQXVWGH-UHFFFAOYSA-N -1 0 232.243 1.158 20 0 BCADRM C[C@H]1C[C@@H](Nc2ccc(C(=O)[O-])nn2)CS1 ZINC000397919403 412267930 /nfs/dbraw/zinc/26/79/30/412267930.db2.gz KHLUXMJQVVDEGI-NKWVEPMBSA-N -1 0 239.300 1.481 20 0 BCADRM C[C@H]1C[C@H](Nc2ccc(C(=O)[O-])nn2)CS1 ZINC000397919401 412270070 /nfs/dbraw/zinc/27/00/70/412270070.db2.gz KHLUXMJQVVDEGI-BQBZGAKWSA-N -1 0 239.300 1.481 20 0 BCADRM C[C@H](Nc1ccc2c(n1)CCC2=O)C(=O)[O-] ZINC000579930387 412244997 /nfs/dbraw/zinc/24/49/97/412244997.db2.gz DQIVDJIDGHEQLF-LURJTMIESA-N -1 0 220.228 1.096 20 0 BCADRM N#Cc1cc(NCCCC(=O)[O-])ncn1 ZINC000379915280 412252564 /nfs/dbraw/zinc/25/25/64/412252564.db2.gz OZHSUQBUXKRQLO-UHFFFAOYSA-N -1 0 206.205 0.625 20 0 BCADRM N#Cc1cc(NCCCCCC(=O)[O-])ncn1 ZINC000382449470 412253303 /nfs/dbraw/zinc/25/33/03/412253303.db2.gz IGWHATHTTPCPIE-UHFFFAOYSA-N -1 0 234.259 1.405 20 0 BCADRM CC(C)[C@@H](CO)CNc1ncncc1C(=O)[O-] ZINC000394178611 412309158 /nfs/dbraw/zinc/30/91/58/412309158.db2.gz LZVYGKOYXGAGFV-MRVPVSSYSA-N -1 0 239.275 0.851 20 0 BCADRM CC(C)[C@H](CO)CNc1ncc(C(=O)[O-])s1 ZINC000394174495 412315511 /nfs/dbraw/zinc/31/55/11/412315511.db2.gz FDRCBNJBQGCJQP-ZETCQYMHSA-N -1 0 244.316 1.518 20 0 BCADRM CC(C)[C@H](CO)CNc1ncncc1C(=O)[O-] ZINC000394178613 412315794 /nfs/dbraw/zinc/31/57/94/412315794.db2.gz LZVYGKOYXGAGFV-QMMMGPOBSA-N -1 0 239.275 0.851 20 0 BCADRM CC(C)[C@H](O)CCNc1nc(C(=O)[O-])co1 ZINC000565661866 412317413 /nfs/dbraw/zinc/31/74/13/412317413.db2.gz WVHPHCADVCUITN-MRVPVSSYSA-N -1 0 228.248 1.192 20 0 BCADRM Cc1cc(CCNc2nc(C(=O)[O-])co2)on1 ZINC000571565866 412318527 /nfs/dbraw/zinc/31/85/27/412318527.db2.gz MNYRUENIBXKFQT-UHFFFAOYSA-N -1 0 237.215 1.324 20 0 BCADRM CC(C)c1noc(=NCCNc2cnccn2)[n-]1 ZINC000486961277 412322749 /nfs/dbraw/zinc/32/27/49/412322749.db2.gz BMOLBMZWOISGJP-UHFFFAOYSA-N -1 0 248.290 0.929 20 0 BCADRM CC/C=C/CNc1ncc(C(=O)[O-])cn1 ZINC000384971644 412328414 /nfs/dbraw/zinc/32/84/14/412328414.db2.gz IMRURWFYNLMYTI-ONEGZZNKSA-N -1 0 207.233 1.553 20 0 BCADRM CC1(CNc2cnc(C(=O)[O-])cn2)COC1 ZINC000516916376 412332217 /nfs/dbraw/zinc/33/22/17/412332217.db2.gz YCZNKSYEHTWRHE-UHFFFAOYSA-N -1 0 223.232 0.623 20 0 BCADRM Cc1[nH][nH]c(=O)c1CCNc1ccnc(C)n1 ZINC000525705643 412334303 /nfs/dbraw/zinc/33/43/03/412334303.db2.gz FBWPZLYVCZXYJA-SECBINFHSA-N -1 0 233.275 0.709 20 0 BCADRM CC[C@H]1[C@H](C(=O)[O-])CCN1S(C)(=O)=O ZINC000306526707 171687271 /nfs/dbraw/zinc/68/72/71/171687271.db2.gz VHZMKNXRJKHWPQ-RQJHMYQMSA-N -1 0 221.278 0.131 20 0 BCADRM Cc1cc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ncn1 ZINC000662886004 412336057 /nfs/dbraw/zinc/33/60/57/412336057.db2.gz QSVVUECTRRTUDW-BXKDBHETSA-N -1 0 249.270 0.322 20 0 BCADRM CCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000665496078 412337960 /nfs/dbraw/zinc/33/79/60/412337960.db2.gz FZUWJOJHLQYBHF-UHFFFAOYSA-N -1 0 225.248 0.021 20 0 BCADRM Cc1nnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)s1 ZINC000662896086 412338732 /nfs/dbraw/zinc/33/87/32/412338732.db2.gz JUXGQMWEPXRROA-FSDSQADBSA-N -1 0 243.288 0.483 20 0 BCADRM O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2ccccn2)C1 ZINC000662897748 412338745 /nfs/dbraw/zinc/33/87/45/412338745.db2.gz VTWAHBYMFPTSJW-DJLDLDEBSA-N -1 0 222.244 0.718 20 0 BCADRM CC[C@](C)(NC(=O)c1cc(C)nn1C)C(=O)[O-] ZINC000094219442 171697331 /nfs/dbraw/zinc/69/73/31/171697331.db2.gz CCCNEQBOLSSHQG-NSHDSACASA-N -1 0 239.275 0.712 20 0 BCADRM CCCOc1nccnc1NCC(=O)[O-] ZINC000530251316 412358907 /nfs/dbraw/zinc/35/89/07/412358907.db2.gz QQLVSXLRJWPLQV-UHFFFAOYSA-N -1 0 211.221 0.762 20 0 BCADRM COCCCNc1ccc(C(=O)[O-])c(OC)n1 ZINC000579358985 412359208 /nfs/dbraw/zinc/35/92/08/412359208.db2.gz CDFNVNYLHVMFBV-UHFFFAOYSA-N -1 0 240.259 1.237 20 0 BCADRM CCC[C@@H](CNc1ccc(C(=O)[O-])nn1)OC ZINC000378848418 412364401 /nfs/dbraw/zinc/36/44/01/412364401.db2.gz ULUMSGUHTWCBHS-QMMMGPOBSA-N -1 0 239.275 1.402 20 0 BCADRM CC(C)OCCCNc1ccc(C(=O)[O-])nn1 ZINC000383433938 412300677 /nfs/dbraw/zinc/30/06/77/412300677.db2.gz IIMZAHWLOOBUFS-UHFFFAOYSA-N -1 0 239.275 1.402 20 0 BCADRM COCCOC[C@@H](C)Nc1nc(C(=O)[O-])co1 ZINC000583996811 412370849 /nfs/dbraw/zinc/37/08/49/412370849.db2.gz DFPYZYWRQSTSNQ-SSDOTTSWSA-N -1 0 244.247 0.836 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)NCC(F)(F)F ZINC000663028842 412374687 /nfs/dbraw/zinc/37/46/87/412374687.db2.gz DBUQODDZSLJORF-LURJTMIESA-N -1 0 229.154 0.155 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000663029479 412374804 /nfs/dbraw/zinc/37/48/04/412374804.db2.gz NTRSNGBAEPGHNR-KWQFWETISA-N -1 0 229.276 0.877 20 0 BCADRM CCCN(CC(=O)[O-])C(=O)Cc1cc(C)no1 ZINC000663027862 412374818 /nfs/dbraw/zinc/37/48/18/412374818.db2.gz VRPWSOLBOXNFSV-UHFFFAOYSA-N -1 0 240.259 0.849 20 0 BCADRM Cc1nccnc1C(=O)N(CC(=O)[O-])C(C)C ZINC000663025345 412374872 /nfs/dbraw/zinc/37/48/72/412374872.db2.gz IJJNOGAHSADYRH-UHFFFAOYSA-N -1 0 237.259 0.720 20 0 BCADRM Cc1[nH]ccc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000663025638 412374902 /nfs/dbraw/zinc/37/49/02/412374902.db2.gz CGUKNQXWSDWFAG-VIFPVBQESA-N -1 0 238.243 0.249 20 0 BCADRM CO[C@@H](C)[C@H](C)NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663039282 412375485 /nfs/dbraw/zinc/37/54/85/412375485.db2.gz SIMQEBLMXUFRRD-ZKWXMUAHSA-N -1 0 229.276 0.637 20 0 BCADRM O=C([O-])[C@@H](C(=O)N[C@H]1CCSC1)C1CC1 ZINC000663039366 412375554 /nfs/dbraw/zinc/37/55/54/412375554.db2.gz TYWMQDDSGLLHHQ-JGVFFNPUSA-N -1 0 229.301 0.719 20 0 BCADRM O=C([O-])[C@H](C(=O)N1CCc2n[nH]cc2C1)C1CC1 ZINC000663039299 412375603 /nfs/dbraw/zinc/37/56/03/412375603.db2.gz INQYRIAPTYDTNO-JTQLQIEISA-N -1 0 249.270 0.405 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1C ZINC000663033505 412375715 /nfs/dbraw/zinc/37/57/15/412375715.db2.gz KPSUBZIRSLWURA-RNSXUZJQSA-N -1 0 229.276 0.781 20 0 BCADRM CO[C@H](C)[C@H](C)NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663039279 412375810 /nfs/dbraw/zinc/37/58/10/412375810.db2.gz SIMQEBLMXUFRRD-OOZYFLPDSA-N -1 0 229.276 0.637 20 0 BCADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@H]1CCCOCC1 ZINC000663039287 412375872 /nfs/dbraw/zinc/37/58/72/412375872.db2.gz SKEXUEUGRSPFCF-GZMMTYOYSA-N -1 0 245.275 0.161 20 0 BCADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccsc1 ZINC000663032350 412375977 /nfs/dbraw/zinc/37/59/77/412375977.db2.gz PWCYMLVTYUBGPK-SNVBAGLBSA-N -1 0 243.284 0.854 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCSC1 ZINC000663037307 412376022 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412379246 /nfs/dbraw/zinc/37/92/46/412379246.db2.gz FWELFERIIXLDKW-IONNQARKSA-N -1 0 229.276 0.327 20 0 BCADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1nnc(C)s1 ZINC000663068732 412379347 /nfs/dbraw/zinc/37/93/47/412379347.db2.gz AMDHAURYNGCRIC-MRVPVSSYSA-N -1 0 245.260 0.275 20 0 BCADRM O=C([O-])[C@H](C(=O)NCC(F)F)C1CC1 ZINC000663069161 412379493 /nfs/dbraw/zinc/37/94/93/412379493.db2.gz IZRYPUVYQUFMMT-LURJTMIESA-N -1 0 207.176 0.479 20 0 BCADRM C[C@@H](O)CCN(C)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663073905 412379639 /nfs/dbraw/zinc/37/96/39/412379639.db2.gz FWELFERIIXLDKW-APPZFPTMSA-N -1 0 229.276 0.327 20 0 BCADRM CC[C@@H](O)CCNC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663077597 412380215 /nfs/dbraw/zinc/38/02/15/412380215.db2.gz OZXWUQBESFLZGJ-PELKAZGASA-N -1 0 243.303 0.765 20 0 BCADRM CC[C@@H](CCO)CNC(=O)[C@@](C)(OC)C(=O)[O-] ZINC000663075612 412380255 /nfs/dbraw/zinc/38/02/55/412380255.db2.gz XFMPHYFLOCRYLF-GZMMTYOYSA-N -1 0 247.291 0.001 20 0 BCADRM CCn1nccc1NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663074392 412380268 /nfs/dbraw/zinc/38/02/68/412380268.db2.gz CXPPNTSEFUWOES-VIFPVBQESA-N -1 0 237.259 0.952 20 0 BCADRM CO[C@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)C1 ZINC000663075771 412380314 /nfs/dbraw/zinc/38/03/14/412380314.db2.gz ZIYKEZYHLOKPFR-QPUJVOFHSA-N -1 0 241.287 0.735 20 0 BCADRM C[C@@H](O)CCN(C)C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663075072 412380380 /nfs/dbraw/zinc/38/03/80/412380380.db2.gz SWYUNCHHQTXWQD-PRHODGIISA-N -1 0 243.303 0.717 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)NCCOCC1CC1 ZINC000663075933 412380424 /nfs/dbraw/zinc/38/04/24/412380424.db2.gz LEVBFIWFZHJITR-NSHDSACASA-N -1 0 245.275 0.019 20 0 BCADRM CCn1cc(NC(=O)[C@](C)(OC)C(=O)[O-])cn1 ZINC000663080306 412380956 /nfs/dbraw/zinc/38/09/56/412380956.db2.gz FODUOAKDDDRWCH-JTQLQIEISA-N -1 0 241.247 0.331 20 0 BCADRM C[C@@H]1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663079124 412381272 /nfs/dbraw/zinc/38/12/72/412381272.db2.gz GKKKMKVJXJBBSE-VXNVDRBHSA-N -1 0 211.261 0.966 20 0 BCADRM CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@H](C)C1 ZINC000663080495 412381436 /nfs/dbraw/zinc/38/14/36/412381436.db2.gz POLFJBPSWYQCGE-XVKPBYJWSA-N -1 0 215.249 0.345 20 0 BCADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CC[C@@H](C)C1 ZINC000663080490 412381482 /nfs/dbraw/zinc/38/14/82/412381482.db2.gz POLFJBPSWYQCGE-GMSGAONNSA-N -1 0 215.249 0.345 20 0 BCADRM CO[C@@H](CNC(=O)[C@](C)(OC)C(=O)[O-])C(C)C ZINC000663097774 412381544 /nfs/dbraw/zinc/38/15/44/412381544.db2.gz DZFLGQZDSPOIBK-KWQFWETISA-N -1 0 247.291 0.263 20 0 BCADRM COCCCNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663086227 412381837 /nfs/dbraw/zinc/38/18/37/412381837.db2.gz LDVCRSHZQPPPQD-MRVPVSSYSA-N -1 0 215.249 0.250 20 0 BCADRM CCC[C@H](C)NC(=O)[C@@](C)(OC)C(=O)[O-] ZINC000663085424 412381866 /nfs/dbraw/zinc/38/18/66/412381866.db2.gz DYINPCOVMCLYAH-OIBJUYFYSA-N -1 0 217.265 0.781 20 0 BCADRM CN(Cc1cc[nH]n1)C(=O)C1(C(=O)[O-])CC=CC1 ZINC000663085770 412382122 /nfs/dbraw/zinc/38/21/22/412382122.db2.gz SVPIPWQCYTYKKL-UHFFFAOYSA-N -1 0 249.270 0.789 20 0 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585000371 /nfs/dbraw/zinc/00/03/71/585000371.db2.gz FODQDSVUGLBAQW-ZETCQYMHSA-N -1 0 224.216 0.743 20 0 BCADRM CCn1[n-]nnc1=NC(=O)N[C@]1(C)CC1(C)C ZINC000888320887 585000501 /nfs/dbraw/zinc/00/05/01/585000501.db2.gz BIGKGUSNPAUUQO-SNVBAGLBSA-N -1 0 238.295 0.425 20 0 BCADRM CCn1[n-]nnc1=NC(=O)NCC1=CCCC1 ZINC000888321189 585000654 /nfs/dbraw/zinc/00/06/54/585000654.db2.gz LIADAZQCIZTGIX-UHFFFAOYSA-N -1 0 236.279 0.347 20 0 BCADRM CC(C)N(C)C(=O)C(C)(C)NC(=O)[O-] ZINC000736454522 585002771 /nfs/dbraw/zinc/00/27/71/585002771.db2.gz IGIROXMWXTVPFF-UHFFFAOYSA-N -1 0 202.254 0.899 20 0 BCADRM O=C([O-])COC(=O)c1cc(F)ccc1O ZINC000819532693 585003097 /nfs/dbraw/zinc/00/30/97/585003097.db2.gz SGLPMKYVPVHQAE-UHFFFAOYSA-N -1 0 214.148 0.773 20 0 BCADRM CC(C)OCCCN(C)C(=O)CNC(=O)[O-] ZINC000736485240 585004345 /nfs/dbraw/zinc/00/43/45/585004345.db2.gz VYNAXXXICNCPBT-UHFFFAOYSA-N -1 0 232.280 0.528 20 0 BCADRM CC(C)c1cc(C(=O)OCCNC(=O)[O-])n[nH]1 ZINC000736515672 585004726 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CCCNC(=O)CN1CCC[C@H]1CNC(=O)[O-] ZINC000826925096 587365677 /nfs/dbraw/zinc/36/56/77/587365677.db2.gz BKPXENIEVNADQZ-VIFPVBQESA-N -1 0 243.307 0.245 20 0 BCADRM CCCOC(=O)[C@H](C)OC(=O)CNC(=O)[O-] ZINC000826931956 587365801 /nfs/dbraw/zinc/36/58/01/587365801.db2.gz ZXZFJMMJGPITFQ-LURJTMIESA-N -1 0 233.220 0.139 20 0 BCADRM CCCOC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000826931465 587365824 /nfs/dbraw/zinc/36/58/24/587365824.db2.gz PWBMRDCPSLDYJS-SSDOTTSWSA-N -1 0 217.221 0.318 20 0 BCADRM CCCNC(=O)NCC(C)(C)NC(=O)[O-] ZINC000826925873 587365916 /nfs/dbraw/zinc/36/59/16/587365916.db2.gz NVBAVZYNPLINHE-UHFFFAOYSA-N -1 0 217.269 0.742 20 0 BCADRM CCN(C(=O)[C@@H]1CCCO1)C1CN(C(=O)[O-])C1 ZINC000826969423 587366768 /nfs/dbraw/zinc/36/67/68/587366768.db2.gz CXALTPQZWIIRIB-VIFPVBQESA-N -1 0 242.275 0.376 20 0 BCADRM CCCn1cc(NC(=O)CCNC(=O)[O-])cn1 ZINC000826960047 587366824 /nfs/dbraw/zinc/36/68/24/587366824.db2.gz YJVHMRZWZXRXFO-UHFFFAOYSA-N -1 0 240.263 0.889 20 0 BCADRM CCN(C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000826983794 587366948 /nfs/dbraw/zinc/36/69/48/587366948.db2.gz ZQIKSVIFMLDVGX-QMMMGPOBSA-N -1 0 230.264 0.234 20 0 BCADRM CC(C)NC(=O)COC(=O)[C@@H](C)CC(=O)[O-] ZINC000826971570 587367053 /nfs/dbraw/zinc/36/70/53/587367053.db2.gz LCPRPGFPXQQKBG-ZETCQYMHSA-N -1 0 231.248 0.165 20 0 BCADRM CCN(C(=O)[C@@H](C)SC)C1CN(C(=O)[O-])C1 ZINC000826971852 587367056 /nfs/dbraw/zinc/36/70/56/587367056.db2.gz ZVJQZTJMRVXGSU-SSDOTTSWSA-N -1 0 246.332 0.949 20 0 BCADRM CC(C)NC(=O)[C@@H](C)OC(=O)[C@H](C)CC(=O)[O-] ZINC000826971705 587367152 /nfs/dbraw/zinc/36/71/52/587367152.db2.gz NYNOHDDYAUWVTN-HTQZYQBOSA-N -1 0 245.275 0.554 20 0 BCADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)C1CC1 ZINC000826995755 587367236 /nfs/dbraw/zinc/36/72/36/587367236.db2.gz MXNNUBMPUBHWQE-VIFPVBQESA-N -1 0 229.276 0.733 20 0 BCADRM CCN(CC(=O)N(C)c1cn[nH]c1)C(=O)[O-] ZINC000826996651 587367597 /nfs/dbraw/zinc/36/75/97/587367597.db2.gz GMLWXSHRLYKJTC-UHFFFAOYSA-N -1 0 226.236 0.372 20 0 BCADRM CCN(CC(=O)N[C@@H]1CCC[C@@H](O)C1)C(=O)[O-] ZINC000827002294 587367732 /nfs/dbraw/zinc/36/77/32/587367732.db2.gz KWRRUKDMGBGFTM-RKDXNWHRSA-N -1 0 244.291 0.406 20 0 BCADRM CCN(CC(=O)NC[C@@H]1CCC[C@@H]1O)C(=O)[O-] ZINC000827002926 587367930 /nfs/dbraw/zinc/36/79/30/587367930.db2.gz WZENABIHRCGOIT-IUCAKERBSA-N -1 0 244.291 0.264 20 0 BCADRM CCN(CC(C)(C)O)C(=O)C[C@@H](C)NC(=O)[O-] ZINC000827020452 587368044 /nfs/dbraw/zinc/36/80/44/587368044.db2.gz UKKHPWBJFKFXSI-MRVPVSSYSA-N -1 0 246.307 0.652 20 0 BCADRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1ccon1 ZINC000827021637 587368202 /nfs/dbraw/zinc/36/82/02/587368202.db2.gz GJHXXVZBPOGGLY-SNVBAGLBSA-N -1 0 242.275 0.985 20 0 BCADRM CCN(CCNC(=O)[C@H]1CCSC1)C(=O)[O-] ZINC000827134592 587370795 /nfs/dbraw/zinc/37/07/95/587370795.db2.gz FZIWXFGOOQFTBS-QMMMGPOBSA-N -1 0 246.332 0.856 20 0 BCADRM CCN(CCNC(=O)c1ccnnc1)C(=O)[O-] ZINC000827150816 587371324 /nfs/dbraw/zinc/37/13/24/587371324.db2.gz NOHMGGGHCXURLF-UHFFFAOYSA-N -1 0 238.247 0.206 20 0 BCADRM 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226.236 0.419 20 0 BCADRM CN(C(=O)C1(NC(=O)[O-])CC1)c1cn[nH]c1 ZINC000827738264 587400258 /nfs/dbraw/zinc/40/02/58/587400258.db2.gz ICETYZXLVLARKI-UHFFFAOYSA-N -1 0 224.220 0.173 20 0 BCADRM CCn1nccc1NC(=O)C1(NC(=O)[O-])CC1 ZINC000827730735 587400331 /nfs/dbraw/zinc/40/03/31/587400331.db2.gz PZOHYDKSZGUBPF-UHFFFAOYSA-N -1 0 238.247 0.642 20 0 BCADRM CN(C(=O)[C@]1(F)CCN(C(=O)[O-])C1)C1CC1 ZINC000827738189 587400358 /nfs/dbraw/zinc/40/03/58/587400358.db2.gz HOMQBUXFCXYTJX-JTQLQIEISA-N -1 0 230.239 0.699 20 0 BCADRM C[C@@H](O)[C@@H](C)SC[C@H](O)CC(=O)[O-] ZINC000827779659 587402195 /nfs/dbraw/zinc/40/21/95/587402195.db2.gz AIKXLFKAOOGMJC-FSDSQADBSA-N -1 0 208.279 0.325 20 0 BCADRM C[C@@H](O)CCN(C)C(=O)[C@@H](C)CC(=O)[O-] ZINC000827788952 587402393 /nfs/dbraw/zinc/40/23/93/587402393.db2.gz JBTGHKNAEQTIDI-JGVFFNPUSA-N -1 0 217.265 0.327 20 0 BCADRM C[C@H](O)C[C@H](C)CNC(=O)[C@@H](C)CC(=O)[O-] ZINC000827787942 587402485 /nfs/dbraw/zinc/40/24/85/587402485.db2.gz FBPSZDSBKUQQOW-CIUDSAMLSA-N -1 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225.195 0.161 20 0 BCADRM CN(CCNC(=O)c1cncc(F)c1)C(=O)[O-] ZINC000828329596 587435368 /nfs/dbraw/zinc/43/53/68/587435368.db2.gz IRJIEFGSHZIVGH-UHFFFAOYSA-N -1 0 241.222 0.560 20 0 BCADRM CN(CCNC(=O)c1ccn(C)c1)C(=O)[O-] ZINC000828329588 587435705 /nfs/dbraw/zinc/43/57/05/587435705.db2.gz IHFYCYCUBSISQF-UHFFFAOYSA-N -1 0 225.248 0.365 20 0 BCADRM CN(CCOC(=O)[C@@H]1CCCCO1)C(=O)[O-] ZINC000828332788 587436044 /nfs/dbraw/zinc/43/60/44/587436044.db2.gz VMHBNIYRCWBOBJ-QMMMGPOBSA-N -1 0 231.248 0.709 20 0 BCADRM CN(CCOCC1CC1)C(=O)CNC(=O)[O-] ZINC000828336428 587436520 /nfs/dbraw/zinc/43/65/20/587436520.db2.gz CVOFPVMWODEHMQ-UHFFFAOYSA-N -1 0 230.264 0.139 20 0 BCADRM C[C@H]1COCCCN1Cn1cc(C(=O)[O-])nn1 ZINC000828509490 587446386 /nfs/dbraw/zinc/44/63/86/587446386.db2.gz QCJIMDFHBYNZBH-QMMMGPOBSA-N -1 0 240.263 0.045 20 0 BCADRM C/C=C(\C)C(=O)N[C@H](CC(=O)[O-])C(=O)OC ZINC000828534293 587447804 /nfs/dbraw/zinc/44/78/04/587447804.db2.gz HHQURQXYBQBUEB-PTYLAXBQSA-N -1 0 229.232 0.085 20 0 BCADRM C/C=C(/C)C(=O)N(C)[C@@H](COCC)C(=O)[O-] ZINC000828534302 587448773 /nfs/dbraw/zinc/44/87/73/587448773.db2.gz HQLLXDVEODVAKE-RDOCRHDPSA-N -1 0 229.276 0.901 20 0 BCADRM CNC(=S)NCC(C)(C)NC(=O)[O-] ZINC000828572878 587451131 /nfs/dbraw/zinc/45/11/31/587451131.db2.gz KDWCMNPPYFGVAD-UHFFFAOYSA-N -1 0 205.283 0.127 20 0 BCADRM CCC(C)(C)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000828603633 587452674 /nfs/dbraw/zinc/45/26/74/587452674.db2.gz NEJVEUHKMXUQBV-SSDOTTSWSA-N -1 0 245.275 0.555 20 0 BCADRM COC(=O)/C(C)=C\COC(=O)CCNC(=O)[O-] ZINC000828600208 587453068 /nfs/dbraw/zinc/45/30/68/587453068.db2.gz IEQSYTHWKDGNLJ-DAXSKMNVSA-N -1 0 245.231 0.307 20 0 BCADRM COC(=O)[C@H](C)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000828606761 587453470 /nfs/dbraw/zinc/45/34/70/587453470.db2.gz DHJKPWOTSRCGKG-CIUDSAMLSA-N -1 0 244.291 0.574 20 0 BCADRM COC(=O)[C@@H](COC(C)C)N(C)C(=O)[O-] ZINC000828606559 587453606 /nfs/dbraw/zinc/45/36/06/587453606.db2.gz BMYMHSLPEFQYRV-SSDOTTSWSA-N -1 0 219.237 0.563 20 0 BCADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CCC[N@@H+]1C ZINC000828618661 587454159 /nfs/dbraw/zinc/45/41/59/587454159.db2.gz YDSDVQGKFAJKQW-SKDRFNHKSA-N -1 0 242.319 0.840 20 0 BCADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cn(C)cn1 ZINC000828645587 587455534 /nfs/dbraw/zinc/45/55/34/587455534.db2.gz RLTIOBSALRBDMB-LLVKDONJSA-N -1 0 239.275 0.793 20 0 BCADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1nonc1C ZINC000828652764 587455737 /nfs/dbraw/zinc/45/57/37/587455737.db2.gz RTEKRHXOTVCXJO-SNVBAGLBSA-N -1 0 241.247 0.751 20 0 BCADRM COC(=O)CN1CCN(C(=O)[O-])CC1(C)C ZINC000828684299 587456795 /nfs/dbraw/zinc/45/67/95/587456795.db2.gz SNVICSWRXDZBDP-UHFFFAOYSA-N -1 0 230.264 0.234 20 0 BCADRM COC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828713913 587456950 /nfs/dbraw/zinc/45/69/50/587456950.db2.gz MJDZEDASVFTAOF-NKWVEPMBSA-N -1 0 232.236 0.110 20 0 BCADRM CC[C@@](C)(CC(=O)OC)NC(=O)CNC(=O)[O-] ZINC000828678906 587457111 /nfs/dbraw/zinc/45/71/11/587457111.db2.gz WCLHOYZZAXKQAG-JTQLQIEISA-N -1 0 246.263 0.102 20 0 BCADRM CC[C@@](C)(NC(=O)c1ccc(C=O)[nH]1)C(=O)[O-] ZINC000828692842 587457265 /nfs/dbraw/zinc/45/72/65/587457265.db2.gz MZZYUGHYGLZZEM-LLVKDONJSA-N -1 0 238.243 0.810 20 0 BCADRM CC[C@@](C)(O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000828700647 587457725 /nfs/dbraw/zinc/45/77/25/587457725.db2.gz PWINRTVKTPNMBJ-GZMMTYOYSA-N -1 0 246.307 0.556 20 0 BCADRM CC[C@H](C)C(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000828700019 587457769 /nfs/dbraw/zinc/45/77/69/587457769.db2.gz FFXRDACFOSWSAJ-BIIVOSGPSA-N -1 0 228.244 0.866 20 0 BCADRM CC[C@@](C)(O)CNC(=O)CCSCC(=O)[O-] ZINC000828700915 587457956 /nfs/dbraw/zinc/45/79/56/587457956.db2.gz URMMNEOVVDHKLR-SNVBAGLBSA-N -1 0 249.332 0.472 20 0 BCADRM CC[C@@H](C)[C@@H](NC(=O)c1ncccn1)C(=O)[O-] ZINC000828738100 587459351 /nfs/dbraw/zinc/45/93/51/587459351.db2.gz MYFIPGPFXBTVHL-HTQZYQBOSA-N -1 0 237.259 0.706 20 0 BCADRM CC[C@H](C)[C@@H](O)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000828738944 587459724 /nfs/dbraw/zinc/45/97/24/587459724.db2.gz QAQQATIPKTVLIU-YUMQZZPRSA-N -1 0 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ZINC000871255789 589750259 /nfs/dbraw/zinc/75/02/59/589750259.db2.gz KYGPJBIBNZNRIL-UHFFFAOYSA-N -1 0 241.291 0.969 20 0 BCADRM CCCCO[C@@H](C)C(=O)N(C)CC(=O)[O-] ZINC000123580316 589755192 /nfs/dbraw/zinc/75/51/92/589755192.db2.gz UONJXXMNUJBNNS-QMMMGPOBSA-N -1 0 217.265 0.735 20 0 BCADRM CC[C@H](O)CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000123668673 589765886 /nfs/dbraw/zinc/76/58/86/589765886.db2.gz WLRNJLRXWSVBFH-CIUDSAMLSA-N -1 0 229.276 0.374 20 0 BCADRM O=C([O-])c1cc(N2CCOC3(CCC3)C2)ncn1 ZINC000871594240 589770420 /nfs/dbraw/zinc/77/04/20/589770420.db2.gz FTGARAOWINQOPW-UHFFFAOYSA-N -1 0 249.270 0.934 20 0 BCADRM O=C([O-])c1cc(N[C@@H]2C=C[C@H](CO)C2)ncn1 ZINC000871593815 589770427 /nfs/dbraw/zinc/77/04/27/589770427.db2.gz VRYJFDOJYKDSIL-JGVFFNPUSA-N -1 0 235.243 0.524 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)Cc1ccon1 ZINC000123685699 589770693 /nfs/dbraw/zinc/77/06/93/589770693.db2.gz KAXAXPQPWNAWNL-UHFFFAOYSA-N -1 0 226.232 0.540 20 0 BCADRM CCn1nncc1CNc1cc(C(=O)[O-])ncn1 ZINC000871595228 589771566 /nfs/dbraw/zinc/77/15/66/589771566.db2.gz PJJBKTMRBPTNOK-UHFFFAOYSA-N -1 0 248.246 0.398 20 0 BCADRM CC[C@H](Sc1n[nH]c(=O)[n-]1)C(C)=O ZINC000871666587 589785694 /nfs/dbraw/zinc/78/56/94/589785694.db2.gz KWPSHLXMASXSAV-YFKPBYRVSA-N -1 0 201.251 0.970 20 0 BCADRM CSc1nc(=O)n(Cc2nocc2C)[n-]1 ZINC000871666688 589785795 /nfs/dbraw/zinc/78/57/95/589785795.db2.gz OLBSVEXQVXKMIB-UHFFFAOYSA-N -1 0 226.261 0.638 20 0 BCADRM CC(C)(C)[C@@H](NC(=O)C1=COCC1)C(=O)[O-] ZINC000123750547 589793001 /nfs/dbraw/zinc/79/30/01/589793001.db2.gz UEUWCYZRZUIBMH-QMMMGPOBSA-N -1 0 227.260 0.906 20 0 BCADRM CCS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000871770431 589811982 /nfs/dbraw/zinc/81/19/82/589811982.db2.gz MVZJPBZIMRRHDK-DJLDLDEBSA-N -1 0 249.332 0.815 20 0 BCADRM CCCCOCC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000123776426 589812286 /nfs/dbraw/zinc/81/22/86/589812286.db2.gz GHLCBFCOJZGXTB-JTQLQIEISA-N -1 0 229.276 0.783 20 0 BCADRM O=C([O-])[C@H](NC(=O)C1=COCCC1)C1CC1 ZINC000123783788 589814111 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O=C([O-])CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000907544148 638399703 /nfs/dbraw/zinc/39/97/03/638399703.db2.gz UNGFNLHQZCRUBF-CFMBBZTMSA-N -1 0 209.245 0.479 20 0 BCADRM CC(C)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-] ZINC000907573513 638407274 /nfs/dbraw/zinc/40/72/74/638407274.db2.gz YBJIFUBNDPOGMD-DMAGGPPCSA-N -1 0 239.271 0.389 20 0 BCADRM CC[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-] ZINC000907581512 638409403 /nfs/dbraw/zinc/40/94/03/638409403.db2.gz IXDGDTNBHJEWRV-WJYNVNEKSA-N -1 0 239.271 0.389 20 0 BCADRM CCC[C@](C)(O)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000907585803 638411039 /nfs/dbraw/zinc/41/10/39/638411039.db2.gz SXDIZOXJLAQLDV-CABZTGNLSA-N -1 0 243.303 0.907 20 0 BCADRM CN(CCC(=O)[O-])C(=O)C1(n2cccn2)CC1 ZINC000907585290 638411191 /nfs/dbraw/zinc/41/11/91/638411191.db2.gz BZWAKTXMVJLAEU-UHFFFAOYSA-N -1 0 237.259 0.305 20 0 BCADRM O=C([O-])C[C@@H](NC(=O)C1(O)CCCC1)C1CC1 ZINC000907583665 638411365 /nfs/dbraw/zinc/41/13/65/638411365.db2.gz BWDWJNLQKPJGHZ-SECBINFHSA-N -1 0 241.287 0.661 20 0 BCADRM C[C@H](NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C(=O)[O-] ZINC000907582991 638411925 /nfs/dbraw/zinc/41/19/25/638411925.db2.gz WNDIKTKRXRIXRH-HMELBQQSSA-N -1 0 223.272 0.868 20 0 BCADRM C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-] ZINC000907590408 638412742 /nfs/dbraw/zinc/41/27/42/638412742.db2.gz YJTVHHFYSZZOEW-UFMRAMJRSA-N -1 0 239.271 0.247 20 0 BCADRM CC1(C)C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCO1 ZINC000907639203 638429066 /nfs/dbraw/zinc/42/90/66/638429066.db2.gz GZYWMRRWQSMHNV-DJLDLDEBSA-N -1 0 241.287 0.781 20 0 BCADRM CC1(C)CC[C@@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])O1 ZINC000907660947 638435857 /nfs/dbraw/zinc/43/58/57/638435857.db2.gz LDWSZGXTOUEUNN-DJLDLDEBSA-N -1 0 241.287 0.781 20 0 BCADRM CNC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000907659338 638437045 /nfs/dbraw/zinc/43/70/45/638437045.db2.gz ASKLEWDXXFDFOK-JOYOIKCWSA-N -1 0 219.240 0.991 20 0 BCADRM CC1(CCC(=O)N2CC[C@@](O)(C(=O)[O-])C2)CC1 ZINC000907760104 638462357 /nfs/dbraw/zinc/46/23/57/638462357.db2.gz DSHKLZMFAFLTBW-LBPRGKRZSA-N -1 0 241.287 0.615 20 0 BCADRM COc1cnc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])s1 ZINC000907766273 638464952 /nfs/dbraw/zinc/46/49/52/638464952.db2.gz JYCPFJUGKJMNHH-RFZPGFLSSA-N -1 0 242.256 0.811 20 0 BCADRM Cn1ncc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1C1CC1 ZINC000907768010 638466831 /nfs/dbraw/zinc/46/68/31/638466831.db2.gz ZLHHTFFTQIAPIK-HTQZYQBOSA-N -1 0 249.270 0.957 20 0 BCADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000907799408 638475423 /nfs/dbraw/zinc/47/54/23/638475423.db2.gz LDANKYFCMSLQKK-QEYWKRMJSA-N -1 0 241.287 0.374 20 0 BCADRM C/C=C\C[C@@H](CO)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000907822696 638477557 /nfs/dbraw/zinc/47/75/57/638477557.db2.gz NZSVTWWLVZMTJW-FUXQNIRESA-N -1 0 227.260 0.150 20 0 BCADRM C[C@@H](O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000907826577 638478790 /nfs/dbraw/zinc/47/87/90/638478790.db2.gz RUNSKZVIDVAUCI-ZYUZMQFOSA-N -1 0 241.287 0.469 20 0 BCADRM CC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000907830571 638480740 /nfs/dbraw/zinc/48/07/40/638480740.db2.gz BSTUCYLCOYDASU-SOCHQFKDSA-N -1 0 227.260 0.081 20 0 BCADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NOCCC1CC1 ZINC000907851333 638487018 /nfs/dbraw/zinc/48/70/18/638487018.db2.gz SHYKOUXYHMRMFH-HTQZYQBOSA-N -1 0 213.233 0.555 20 0 BCADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]1c1cccnc1 ZINC000907845681 638494909 /nfs/dbraw/zinc/49/49/09/638494909.db2.gz WELGIQWXVQHKFF-LNFKQOIKSA-N -1 0 246.266 0.774 20 0 BCADRM C[C@@H](CO)CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000907845729 638495318 /nfs/dbraw/zinc/49/53/18/638495318.db2.gz XFHRSMLBACIFDH-IWSPIJDZSA-N -1 0 229.276 0.232 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H]1CCOC1(C)C ZINC000907888229 638499986 /nfs/dbraw/zinc/49/99/86/638499986.db2.gz KSQBJZKPWGMPPN-JGVFFNPUSA-N -1 0 229.276 0.781 20 0 BCADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccn[nH]3)[C@@H]2C1 ZINC000907951438 638519444 /nfs/dbraw/zinc/51/94/44/638519444.db2.gz DXRARWWKUYFQAH-DQUBFYRCSA-N -1 0 249.270 0.639 20 0 BCADRM CCC[C@@H](NC(=O)c1cnn(CC)n1)C(=O)[O-] ZINC000908011636 638547672 /nfs/dbraw/zinc/54/76/72/638547672.db2.gz KCXNLBWPIFJFTO-SSDOTTSWSA-N -1 0 240.263 0.281 20 0 BCADRM CCC[C@@H](NC(=O)C(C)(C)CO)C(=O)[O-] ZINC000908009457 638547723 /nfs/dbraw/zinc/54/77/23/638547723.db2.gz YOQZBYHBYJHDBX-SSDOTTSWSA-N -1 0 217.265 0.374 20 0 BCADRM CCC[C@@H](NC(=O)[C@@H](C)[C@@H](O)CC)C(=O)[O-] ZINC000908015128 638549425 /nfs/dbraw/zinc/54/94/25/638549425.db2.gz NMYNVUPPVHSVDA-YIZRAAEISA-N -1 0 231.292 0.763 20 0 BCADRM CCC[C@@H](NC(=O)[C@](C)(O)C1CC1)C(=O)[O-] ZINC000908016553 638549664 /nfs/dbraw/zinc/54/96/64/638549664.db2.gz WWDRXWFVKUPCFR-LDYMZIIASA-N -1 0 229.276 0.517 20 0 BCADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@H](C(=O)[O-])C(C)C ZINC000908042796 638557917 /nfs/dbraw/zinc/55/79/17/638557917.db2.gz JGCVZJXBDLNHRS-IVZWLZJFSA-N -1 0 243.303 0.979 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H]1COCC[C@H]1OC ZINC000908039842 638559131 /nfs/dbraw/zinc/55/91/31/638559131.db2.gz TZZPLAJQKRIZJI-DJLDLDEBSA-N -1 0 245.275 0.017 20 0 BCADRM C[C@H](O)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC000908066068 638565542 /nfs/dbraw/zinc/56/55/42/638565542.db2.gz VOIFIAPQYCKNGH-ZETCQYMHSA-N -1 0 235.239 0.655 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](C)C(C)(C)O ZINC000908126482 638575923 /nfs/dbraw/zinc/57/59/23/638575923.db2.gz HCKMMVUDQWXOHE-BQBZGAKWSA-N -1 0 217.265 0.373 20 0 BCADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C)C(C)(C)O ZINC000908128513 638576432 /nfs/dbraw/zinc/57/64/32/638576432.db2.gz NVBMHYLPZNQCJK-JGVFFNPUSA-N -1 0 231.292 0.619 20 0 BCADRM C[C@@H]1CO[C@@H](C)CN1c1nc(C(=O)[O-])co1 ZINC000165858651 638590541 /nfs/dbraw/zinc/59/05/41/638590541.db2.gz QWACTPZBYBYASR-RQJHMYQMSA-N -1 0 226.232 0.986 20 0 BCADRM C[C@@H](O)[C@@H]1CCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000165955988 638590857 /nfs/dbraw/zinc/59/08/57/638590857.db2.gz OZNZKQPYAWNSCM-HTQZYQBOSA-N -1 0 227.260 0.081 20 0 BCADRM CCC/C=C/[C@@H](O)C(=O)[N-]OCCCOC ZINC000908181688 638594527 /nfs/dbraw/zinc/59/45/27/638594527.db2.gz TZKFIFBNGIVGMG-BREXMAIKSA-N -1 0 231.292 0.788 20 0 BCADRM COCCCO[N-]C(=O)[C@H]1CCCC(=O)N1C ZINC000908181601 638594879 /nfs/dbraw/zinc/59/48/79/638594879.db2.gz HNXIXPFPQJDNPT-SECBINFHSA-N -1 0 244.291 0.082 20 0 BCADRM Cc1ncc(C(=O)N[C@H](C(=O)[O-])C(C)C)n1C ZINC000908183489 638596384 /nfs/dbraw/zinc/59/63/84/638596384.db2.gz MEYHEPQTROUSRA-VIFPVBQESA-N -1 0 239.275 0.568 20 0 BCADRM Cc1ccnc(C(=O)N[C@H](C(=O)[O-])C(C)C)n1 ZINC000908183552 638596429 /nfs/dbraw/zinc/59/64/29/638596429.db2.gz OHWCJEMQNBELPF-QMMMGPOBSA-N -1 0 237.259 0.624 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)NCC[C@H](O)C1CC1 ZINC000908194190 638599447 /nfs/dbraw/zinc/59/94/47/638599447.db2.gz PNFWFZMWEPZWJY-BDAKNGLRSA-N -1 0 229.276 0.374 20 0 BCADRM CCC[C@H](NC(=O)[C@@H](CC)CO)C(=O)[O-] ZINC000908217161 638616377 /nfs/dbraw/zinc/61/63/77/638616377.db2.gz MXPRWBJSBWCWAA-YUMQZZPRSA-N -1 0 217.265 0.374 20 0 BCADRM CCC[C@H](NC(=O)c1nccc(C)n1)C(=O)[O-] ZINC000908216577 638616479 /nfs/dbraw/zinc/61/64/79/638616479.db2.gz DEXNSWFLYMIJAU-QMMMGPOBSA-N -1 0 237.259 0.768 20 0 BCADRM CCC[C@H](NC(=O)C1(OC)CC1)C(=O)[O-] ZINC000908215870 638617298 /nfs/dbraw/zinc/61/72/98/638617298.db2.gz LYYNFQXYXSTQMO-ZETCQYMHSA-N -1 0 215.249 0.535 20 0 BCADRM CCC[C@H](NC(=O)[C@@](C)(O)CCC)C(=O)[O-] ZINC000908215838 638617387 /nfs/dbraw/zinc/61/73/87/638617387.db2.gz JWVXVVRFXDPWQZ-KWQFWETISA-N -1 0 231.292 0.907 20 0 BCADRM CCC[C@H](NC(=O)/C=C/[C@H]1CCOC1)C(=O)[O-] ZINC000908215796 638617464 /nfs/dbraw/zinc/61/74/64/638617464.db2.gz JARNYUIPMFLFQF-AWAZDUCLSA-N -1 0 241.287 0.949 20 0 BCADRM CCC[C@H](NC(=O)Cc1cncn1C)C(=O)[O-] ZINC000908215712 638617713 /nfs/dbraw/zinc/61/77/13/638617713.db2.gz HGZIKPLKXAHENF-VIFPVBQESA-N -1 0 239.275 0.332 20 0 BCADRM CCC[C@H](NC(=O)c1csc(=O)[nH]1)C(=O)[O-] ZINC000908216199 638617756 /nfs/dbraw/zinc/61/77/56/638617756.db2.gz RRRUBQTXOMMURK-YFKPBYRVSA-N -1 0 244.272 0.832 20 0 BCADRM C[C@H](O)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC000908289855 638629073 /nfs/dbraw/zinc/62/90/73/638629073.db2.gz ULOHNZKICXYULJ-WPRPVWTQSA-N -1 0 243.303 0.765 20 0 BCADRM CCC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC000908276024 638630244 /nfs/dbraw/zinc/63/02/44/638630244.db2.gz GPJZPMKNRRQBGE-SNVBAGLBSA-N -1 0 225.248 0.253 20 0 BCADRM C/C=C/[C@H](O)C(=O)[N-]OC/C=C\Cl ZINC000908313082 638636366 /nfs/dbraw/zinc/63/63/66/638636366.db2.gz QCVMPBPMTMCGAR-CPHKXXMYSA-N -1 0 205.641 0.724 20 0 BCADRM CC(C)(C(=O)[O-])C(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000908291757 638645128 /nfs/dbraw/zinc/64/51/28/638645128.db2.gz MARGNCNBTPYXNN-DTWKUNHWSA-N -1 0 241.287 0.638 20 0 BCADRM O=C([O-])[C@@H](CNC(=O)CO)CC1CCCC1 ZINC000908293136 638645407 /nfs/dbraw/zinc/64/54/07/638645407.db2.gz RPCNARFDCOVKLQ-SECBINFHSA-N -1 0 229.276 0.376 20 0 BCADRM CC[C@@H](C)CO[N-]C(=O)[C@H](O)C(C)(C)O ZINC000908348357 638660607 /nfs/dbraw/zinc/66/06/07/638660607.db2.gz NEILFIFMQZEMOY-SFYZADRCSA-N -1 0 219.281 0.212 20 0 BCADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ncccn2)C1 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20 0 BCADRM C[C@@H]1COC[C@H]1NC(=O)CCSCC(=O)[O-] ZINC000910964198 639546025 /nfs/dbraw/zinc/54/60/25/639546025.db2.gz FJEYHBKNZSFZBM-HTQZYQBOSA-N -1 0 247.316 0.345 20 0 BCADRM C[C@]1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCCCO1 ZINC000910996106 639550051 /nfs/dbraw/zinc/55/00/51/639550051.db2.gz IGUGAFRAZVGVFN-VDDIYKPWSA-N -1 0 241.287 0.783 20 0 BCADRM CCOCC(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC000910984540 639555915 /nfs/dbraw/zinc/55/59/15/639555915.db2.gz XHZAPUNAPXBMHA-JTQLQIEISA-N -1 0 238.243 0.360 20 0 BCADRM CN(CCO)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000911082053 639570358 /nfs/dbraw/zinc/57/03/58/639570358.db2.gz HEJBQUNLDQYFAX-NSCUHMNNSA-N -1 0 239.227 0.442 20 0 BCADRM CCO[C@H]1CCN(C(=O)[C@H](C)CC(=O)[O-])C1 ZINC000911060302 639572712 /nfs/dbraw/zinc/57/27/12/639572712.db2.gz CDENWALQIFSTKN-BDAKNGLRSA-N -1 0 229.276 0.735 20 0 BCADRM CN(CCO)C(=O)C(C)(C)CCC(=O)[O-] ZINC000911083588 639573973 /nfs/dbraw/zinc/57/39/73/639573973.db2.gz ZEWQSIRYXDDDHV-UHFFFAOYSA-N -1 0 217.265 0.328 20 0 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CS(=O)(=O)[N-]C(=O)c1nc(Cl)cs1 ZINC000307366724 352453296 /nfs/dbraw/zinc/45/32/96/352453296.db2.gz LFJSFEVCAWTXQL-UHFFFAOYSA-N -1 0 240.693 0.486 20 0 BCADRM O=C(NCc1nnn[n-]1)c1cccc(F)c1 ZINC000044929451 352502452 /nfs/dbraw/zinc/50/24/52/352502452.db2.gz SNZQNSIAZCOBHJ-UHFFFAOYSA-N -1 0 221.195 0.269 20 0 BCADRM Cc1cccc(C(=O)NCc2nnn[n-]2)c1 ZINC000044929460 352502927 /nfs/dbraw/zinc/50/29/27/352502927.db2.gz DRCMSLGMXCHNDC-UHFFFAOYSA-N -1 0 217.232 0.438 20 0 BCADRM O=C(NCc1nnn[n-]1)c1cc(F)cc(F)c1 ZINC000044929511 352502996 /nfs/dbraw/zinc/50/29/96/352502996.db2.gz NEBJBGYBXLMNPI-UHFFFAOYSA-N -1 0 239.185 0.408 20 0 BCADRM Cc1ccc(C(=O)NCc2nnn[n-]2)o1 ZINC000044929320 352503145 /nfs/dbraw/zinc/50/31/45/352503145.db2.gz NRCULRWFGFGZLW-UHFFFAOYSA-N -1 0 207.193 0.031 20 0 BCADRM CC(C)SCC(=O)NC1(C(=O)[O-])CC1 ZINC000203649104 352557901 /nfs/dbraw/zinc/55/79/01/352557901.db2.gz ZRDIOMFCHNPLEY-UHFFFAOYSA-N -1 0 217.290 0.861 20 0 BCADRM Cc1cc(NC(=O)[C@H](C)C(=O)[O-])nn1C ZINC000300989265 352583169 /nfs/dbraw/zinc/58/31/69/352583169.db2.gz UTSSJUWJRGTECG-LURJTMIESA-N -1 0 211.221 0.388 20 0 BCADRM Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000037433660 358472443 /nfs/dbraw/zinc/47/24/43/358472443.db2.gz RBTPSISOBMTBNI-UHFFFAOYSA-N -1 0 236.227 0.134 20 0 BCADRM C[C@H]1SCCN(C(=O)c2nc(=O)[nH][n-]2)[C@H]1C ZINC000118529736 323906698 /nfs/dbraw/zinc/90/66/98/323906698.db2.gz XOIHKPOEWSLRDV-NTSWFWBYSA-N -1 0 242.304 0.064 20 0 BCADRM COc1ccc(CC(=O)N(C)CC(=O)[O-])cc1 ZINC000019402089 187935076 /nfs/dbraw/zinc/93/50/76/187935076.db2.gz DHOXZDZYDHGSCI-UHFFFAOYSA-N -1 0 237.255 0.781 20 0 BCADRM CCO[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000092618779 538107369 /nfs/dbraw/zinc/10/73/69/538107369.db2.gz XBMVMFPJLBBZDI-MRVPVSSYSA-N -1 0 226.280 0.511 20 0 BCADRM CC(C)N(CC(=O)[O-])C(=O)C[C@@H]1CCOC1 ZINC000309532693 187998713 /nfs/dbraw/zinc/99/87/13/187998713.db2.gz DRDOFSCSRJHPHX-VIFPVBQESA-N -1 0 229.276 0.735 20 0 BCADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(=O)[nH]c1 ZINC000037993464 188007136 /nfs/dbraw/zinc/00/71/36/188007136.db2.gz BWQQGGOCFFXOMV-UHFFFAOYSA-N -1 0 238.243 0.310 20 0 BCADRM O=C([O-])C[S@@](=O)Cc1noc2c1CCCC2 ZINC000309691476 353128651 /nfs/dbraw/zinc/12/86/51/353128651.db2.gz PWGMZOOFNNCEIP-INIZCTEOSA-N -1 0 243.284 0.887 20 0 BCADRM CC(C)(O)CONC(=O)Nc1ccncc1 ZINC000278691257 188031073 /nfs/dbraw/zinc/03/10/73/188031073.db2.gz ZJEWARJWVVNTAI-UHFFFAOYSA-N -1 0 225.248 0.906 20 0 BCADRM CC=CC=CC(=O)NCCc1nc(=O)o[n-]1 ZINC000280190276 188031339 /nfs/dbraw/zinc/03/13/39/188031339.db2.gz UMGXKNKZLOGDII-MQQKCMAXSA-N -1 0 223.232 0.154 20 0 BCADRM CC(C)[C@H](O)CNc1nc2n[nH]cc2c(=O)[nH]1 ZINC000290746937 188036291 /nfs/dbraw/zinc/03/62/91/188036291.db2.gz IEKIOMGNLMSHBB-SSDOTTSWSA-N -1 0 237.263 0.487 20 0 BCADRM CC(C)(NC(=O)COC[C@H]1CCOC1)C(=O)[O-] ZINC000331301981 188046916 /nfs/dbraw/zinc/04/69/16/188046916.db2.gz QAAVVWKAFONWAU-QMMMGPOBSA-N -1 0 245.275 0.019 20 0 BCADRM CC(C)=CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000190194937 188049742 /nfs/dbraw/zinc/04/97/42/188049742.db2.gz WJYCVEPPSVPNCO-BDAKNGLRSA-N -1 0 227.260 0.701 20 0 BCADRM O=C([O-])CC1(NC(=O)CCn2cccn2)CC1 ZINC000398288230 363205240 /nfs/dbraw/zinc/20/52/40/363205240.db2.gz HCYOGUMQPMQROC-UHFFFAOYSA-N -1 0 237.259 0.397 20 0 BCADRM CCC[C@@](C)(O)CNC(=O)CCC(=O)[O-] ZINC000225450304 538112887 /nfs/dbraw/zinc/11/28/87/538112887.db2.gz WZCLHXRCELCCKC-SNVBAGLBSA-N -1 0 217.265 0.519 20 0 BCADRM O=C([O-])[C@@H]1COCCN1C(=O)CC(F)(F)F ZINC000083875343 538112194 /nfs/dbraw/zinc/11/21/94/538112194.db2.gz QLNCYINJPUKEPX-YFKPBYRVSA-N -1 0 241.165 0.251 20 0 BCADRM CC(C)(NC(=O)NCCC1CC1)C(=O)[O-] ZINC000083911561 538112234 /nfs/dbraw/zinc/11/22/34/538112234.db2.gz MOELNXKGMDTGGT-UHFFFAOYSA-N -1 0 214.265 0.949 20 0 BCADRM C[C@H](NC(=O)NCCC1CC1)C(=O)[O-] ZINC000083911687 538112371 /nfs/dbraw/zinc/11/23/71/538112371.db2.gz OGVHSGYRROFPGA-LURJTMIESA-N -1 0 200.238 0.559 20 0 BCADRM CC(C)c1ncc(CN(C)C(=O)C(=O)[O-])cn1 ZINC000354989121 188236541 /nfs/dbraw/zinc/23/65/41/188236541.db2.gz VIWBVGUWNQDQCT-UHFFFAOYSA-N -1 0 237.259 0.643 20 0 BCADRM Cc1nccc(CS(=O)(=O)c2ncc[n-]2)n1 ZINC000359197892 188241625 /nfs/dbraw/zinc/24/16/25/188241625.db2.gz VROXQWNZUAEZTE-UHFFFAOYSA-N -1 0 238.272 0.482 20 0 BCADRM O=S(=O)([N-]c1cccc(O)c1)c1cn[nH]c1 ZINC000037745085 358477539 /nfs/dbraw/zinc/47/75/39/358477539.db2.gz CSPCOZIOHDKJSF-UHFFFAOYSA-N -1 0 239.256 0.916 20 0 BCADRM CC(C)(CCNC(=O)N[C@@H]1CCOC1)C(=O)[O-] ZINC000304355882 188250304 /nfs/dbraw/zinc/25/03/04/188250304.db2.gz LPFMSOVQNZVTIZ-MRVPVSSYSA-N -1 0 244.291 0.575 20 0 BCADRM Cc1ncoc1C(=O)N(CC(=O)[O-])CC1CC1 ZINC000147250903 538114456 /nfs/dbraw/zinc/11/44/56/538114456.db2.gz CBNDTNRGLZEJBG-UHFFFAOYSA-N -1 0 238.243 0.920 20 0 BCADRM C/C=C(\C)C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000271892766 188263189 /nfs/dbraw/zinc/26/31/89/188263189.db2.gz NIYCDHAVULVLDC-HTZNOQTFSA-N -1 0 213.233 0.313 20 0 BCADRM C[C@H](C[S@@](C)=O)N(C)C(=O)CCC(=O)[O-] ZINC000398884863 353309643 /nfs/dbraw/zinc/30/96/43/353309643.db2.gz WLWIUVFRMHOFSI-KWKYVRJSSA-N -1 0 235.305 0.077 20 0 BCADRM C[C@@H](C[S@](C)=O)N(C)C(=O)CCC(=O)[O-] ZINC000398884867 353309815 /nfs/dbraw/zinc/30/98/15/353309815.db2.gz WLWIUVFRMHOFSI-ZIDLFYJRSA-N -1 0 235.305 0.077 20 0 BCADRM C[C@H](CCC(=O)[O-])NC(=O)C1CCOCC1 ZINC000069837669 188284754 /nfs/dbraw/zinc/28/47/54/188284754.db2.gz FWSXHTCRQRWUJZ-MRVPVSSYSA-N -1 0 229.276 0.783 20 0 BCADRM CNC(=O)CCNS(=O)(=O)c1cccs1 ZINC000045163738 188297874 /nfs/dbraw/zinc/29/78/74/188297874.db2.gz WGLYNSIHRDLQGX-UHFFFAOYSA-N -1 0 248.329 0.163 20 0 BCADRM CC(C)(NC(=O)c1ccccc1O)C(N)=O ZINC000045109993 188297939 /nfs/dbraw/zinc/29/79/39/188297939.db2.gz QJSNDWFZYAGPJS-UHFFFAOYSA-N -1 0 222.244 0.386 20 0 BCADRM CC(C)N(CC(=O)[O-])C(=O)Cc1cccnc1 ZINC000054289823 188300886 /nfs/dbraw/zinc/30/08/86/188300886.db2.gz KLVMJRJNDUOYKV-UHFFFAOYSA-N -1 0 236.271 0.946 20 0 BCADRM Cc1ncsc1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000054051056 188300952 /nfs/dbraw/zinc/30/09/52/188300952.db2.gz ILJINJOQBYFPQW-LURJTMIESA-N -1 0 228.273 0.997 20 0 BCADRM CC(C)N(CC(=O)[O-])C(=O)N[C@H]1CCCOC1 ZINC000103964626 188323930 /nfs/dbraw/zinc/32/39/30/188323930.db2.gz LDQDYZMEXWNYQL-VIFPVBQESA-N -1 0 244.291 0.670 20 0 BCADRM CCCS(=O)(=O)NCC(C)(C)CC(=O)[O-] ZINC000308893222 491049464 /nfs/dbraw/zinc/04/94/64/491049464.db2.gz YKLYANZIXAVAFZ-UHFFFAOYSA-N -1 0 237.321 0.817 20 0 BCADRM CC(C)COCCCNC(=O)[C@H](C)C(=O)[O-] ZINC000165464432 353354566 /nfs/dbraw/zinc/35/45/66/353354566.db2.gz ZVUOLPUFFONKFT-VIFPVBQESA-N -1 0 231.292 0.886 20 0 BCADRM C[C@@H](C(=O)[O-])C(=O)N(C)c1cnn(C)c1 ZINC000563713482 353356508 /nfs/dbraw/zinc/35/65/08/353356508.db2.gz ITYXCTREIXQUQM-ZCFIWIBFSA-N -1 0 211.221 0.104 20 0 BCADRM CC(C)C[C@H](NC(=O)[C@H]1COCCO1)C(=O)[O-] ZINC000037430931 188324987 /nfs/dbraw/zinc/32/49/87/188324987.db2.gz GTTXZMULVQGIHT-DTWKUNHWSA-N -1 0 245.275 0.017 20 0 BCADRM CC(=O)N[C@H](C)C(=O)NCCCCCC(=O)[O-] ZINC000037430176 188325045 /nfs/dbraw/zinc/32/50/45/188325045.db2.gz RDJKADDRPXRFKT-MRVPVSSYSA-N -1 0 244.291 0.272 20 0 BCADRM CSc1nc(=O)n(C[C@@H]2CCCOC2)[n-]1 ZINC000334504223 353349130 /nfs/dbraw/zinc/34/91/30/353349130.db2.gz ZGCPLMQZGJAFMF-ZETCQYMHSA-N -1 0 229.305 0.720 20 0 BCADRM CCn1nc(C)cc1C(=O)N[C@H](C)C(=O)[O-] ZINC000085166039 538115723 /nfs/dbraw/zinc/11/57/23/538115723.db2.gz KOGNKZHVEMEQOD-SSDOTTSWSA-N -1 0 225.248 0.414 20 0 BCADRM CCOCCC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000053732856 188343399 /nfs/dbraw/zinc/34/33/99/188343399.db2.gz FZBXDBHZTLLQTD-QMMMGPOBSA-N -1 0 217.265 0.592 20 0 BCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cc(C#N)ncn2)C1 ZINC000398955421 353375842 /nfs/dbraw/zinc/37/58/42/353375842.db2.gz RHKAGPFPSHPCIO-RKDXNWHRSA-N -1 0 246.270 0.895 20 0 BCADRM CCOCCC1(C(=O)NCC(=O)[O-])CCC1 ZINC000190529229 188349564 /nfs/dbraw/zinc/34/95/64/188349564.db2.gz MHBWIHDZLAQWCR-UHFFFAOYSA-N -1 0 229.276 0.784 20 0 BCADRM Cc1c(C(=O)NCC(=O)[O-])cnn1C(C)C ZINC000190531939 353381986 /nfs/dbraw/zinc/38/19/86/353381986.db2.gz PZADOXNNSMDGIU-UHFFFAOYSA-N -1 0 225.248 0.587 20 0 BCADRM CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000193009231 188351597 /nfs/dbraw/zinc/35/15/97/188351597.db2.gz VPKYEULOBSWIDB-UHFFFAOYSA-N -1 0 211.221 0.661 20 0 BCADRM C[C@H](Nc1cnc(C(=O)[O-])cn1)C(=O)N(C)C ZINC000230076462 353419511 /nfs/dbraw/zinc/41/95/11/353419511.db2.gz ZVKVRMSDDZGFMD-LURJTMIESA-N -1 0 238.247 0.063 20 0 BCADRM Cc1ncncc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000262176354 188371106 /nfs/dbraw/zinc/37/11/06/188371106.db2.gz VZEAJWGFNWNCHB-SECBINFHSA-N -1 0 235.243 0.474 20 0 BCADRM O=C([N-]OC/C=C/Cl)C1=COCCO1 ZINC000291871045 188389846 /nfs/dbraw/zinc/38/98/46/188389846.db2.gz POLQXHIGPNACKZ-OWOJBTEDSA-N -1 0 219.624 0.675 20 0 BCADRM CCOc1cc(NCc2nnn[n-]2)ncn1 ZINC000085485741 538117119 /nfs/dbraw/zinc/11/71/19/538117119.db2.gz SVWJCBWJPOWFAH-UHFFFAOYSA-N -1 0 221.224 0.001 20 0 BCADRM CC(C)(O)CO[N-]C(=O)COc1ccccc1 ZINC000278741497 188382974 /nfs/dbraw/zinc/38/29/74/188382974.db2.gz VCIPVRATVVMFRW-UHFFFAOYSA-N -1 0 239.271 0.884 20 0 BCADRM CO[C@H]1CCCN(C(=O)NCCCC(=O)[O-])C1 ZINC000230305558 353485491 /nfs/dbraw/zinc/48/54/91/353485491.db2.gz WUDMVBZPYCBUHS-VIFPVBQESA-N -1 0 244.291 0.672 20 0 BCADRM CC(C)(NC(=O)[C@@H]1CCCO1)C(=O)[O-] ZINC000040909403 188396993 /nfs/dbraw/zinc/39/69/93/188396993.db2.gz NNUOBOKQNAOBJL-LURJTMIESA-N -1 0 201.222 0.145 20 0 BCADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCOCC12CCC2 ZINC000191602255 353498947 /nfs/dbraw/zinc/49/89/47/353498947.db2.gz CSOOCVUYUYLMKB-BDAKNGLRSA-N -1 0 239.271 0.489 20 0 BCADRM CC1(C)C(C(=O)NCc2nnn[n-]2)C1(C)C ZINC000085710232 491052449 /nfs/dbraw/zinc/05/24/49/491052449.db2.gz YYMUKHPYHUKSRN-UHFFFAOYSA-N -1 0 223.280 0.498 20 0 BCADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCSC1 ZINC000231345319 353595561 /nfs/dbraw/zinc/59/55/61/353595561.db2.gz WRUUTUIXRXFZNK-FSDSQADBSA-N -1 0 215.274 0.329 20 0 BCADRM CC(C)(NC(=O)c1ncncc1Cl)C(=O)[O-] ZINC000190673926 353564879 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0.485 20 0 BCADRM CCS(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000087221128 487619846 /nfs/dbraw/zinc/61/98/46/487619846.db2.gz ABCYCNQGRQIVPO-DTWKUNHWSA-N -1 0 249.332 0.959 20 0 BCADRM O=C([O-])C[C@@H]1COCCN1C(=O)CCCF ZINC000659149337 410972188 /nfs/dbraw/zinc/97/21/88/410972188.db2.gz ANXRFWSEIIBSFM-MRVPVSSYSA-N -1 0 233.239 0.438 20 0 BCADRM O=C([O-])[C@@H]1CCCN1C(=O)CCCF ZINC000659150666 410984332 /nfs/dbraw/zinc/98/43/32/410984332.db2.gz CPQVJKHACFOXPN-ZETCQYMHSA-N -1 0 203.213 0.812 20 0 BCADRM OC[C@@H](CCF)N=c1nc(C2CC2)[n-]s1 ZINC000651462885 411046679 /nfs/dbraw/zinc/04/66/79/411046679.db2.gz DOEWCGBTOORREY-SSDOTTSWSA-N -1 0 231.296 0.970 20 0 BCADRM COCc1nc(=N[C@H](CO)CCF)s[n-]1 ZINC000651463506 411046844 /nfs/dbraw/zinc/04/68/44/411046844.db2.gz VPFGRZBELYZFBR-LURJTMIESA-N -1 0 235.284 0.239 20 0 BCADRM CO[C@@H](C)c1nc(=N[C@H](CO)CCF)s[n-]1 ZINC000651463662 411048177 /nfs/dbraw/zinc/04/81/77/411048177.db2.gz YYMMFSWCLKHIGJ-BQBZGAKWSA-N -1 0 249.311 0.800 20 0 BCADRM CC(C)c1n[n-]c(=N[C@H](CO)CCF)o1 ZINC000651463401 411048276 /nfs/dbraw/zinc/04/82/76/411048276.db2.gz SCOYBMVDMMCXGH-ZETCQYMHSA-N -1 0 217.244 0.747 20 0 BCADRM CO[C@@H](C(=O)N[C@H](C)CCC(=O)[O-])C1CC1 ZINC000668280973 487620273 /nfs/dbraw/zinc/62/02/73/487620273.db2.gz JOQSMOSTHPTMIM-GMSGAONNSA-N -1 0 229.276 0.781 20 0 BCADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651431478 411021282 /nfs/dbraw/zinc/02/12/82/411021282.db2.gz DWJNLXCQRBHRJJ-HRDYMLBCSA-N -1 0 248.286 0.729 20 0 BCADRM CN(CC(=O)NC1CC1)c1ccc(C(=O)[O-])cn1 ZINC000042692154 411034063 /nfs/dbraw/zinc/03/40/63/411034063.db2.gz PNSMWTJBMNDXIP-UHFFFAOYSA-N -1 0 249.270 0.495 20 0 BCADRM CCC(CC)C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000659170408 411135854 /nfs/dbraw/zinc/13/58/54/411135854.db2.gz WFCHUFIBGHBPSF-BDAKNGLRSA-N -1 0 229.276 0.781 20 0 BCADRM CC[C@H](C(=O)[O-])N(C)CC(=O)N1CCCCC1 ZINC000044622321 411138576 /nfs/dbraw/zinc/13/85/76/411138576.db2.gz OVZJYSHJOYCLHK-SNVBAGLBSA-N -1 0 242.319 0.794 20 0 BCADRM CC[C@@H](C(=O)[O-])N(C)c1ncnc2c1cnn2C ZINC000044619520 411138755 /nfs/dbraw/zinc/13/87/55/411138755.db2.gz SSBYDLGLSZXVEF-QMMMGPOBSA-N -1 0 249.274 0.663 20 0 BCADRM CC[C@@H](C)NC(=O)CN(C)[C@@H](CC)C(=O)[O-] ZINC000044621940 411138778 /nfs/dbraw/zinc/13/87/78/411138778.db2.gz BYSWAPQWAPAAFI-BDAKNGLRSA-N -1 0 230.308 0.696 20 0 BCADRM CNC(=O)CCNc1ccc(C(=O)[O-])cn1 ZINC000045011115 411142986 /nfs/dbraw/zinc/14/29/86/411142986.db2.gz SEMIMKZZEZGJFU-UHFFFAOYSA-N -1 0 223.232 0.328 20 0 BCADRM CCC1(CNC(=O)NC[C@@H](C)C(=O)[O-])COC1 ZINC000655878931 411152279 /nfs/dbraw/zinc/15/22/79/411152279.db2.gz ICMWBMGNYZXFSJ-MRVPVSSYSA-N -1 0 244.291 0.433 20 0 BCADRM CC[C@@H](NC(=O)NC[C@@H](C)C(=O)[O-])C(C)(C)O ZINC000655881322 411152416 /nfs/dbraw/zinc/15/24/16/411152416.db2.gz KXBUPDKOULWQQM-HTQZYQBOSA-N -1 0 246.307 0.556 20 0 BCADRM C[C@H](CNC(=O)N[C@@H](C)CC(C)(C)O)C(=O)[O-] ZINC000655881490 411152665 /nfs/dbraw/zinc/15/26/65/411152665.db2.gz NFWJBDUFSWAKQD-SFYZADRCSA-N -1 0 246.307 0.556 20 0 BCADRM Cc1ncc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)[nH]1 ZINC000655564386 411152818 /nfs/dbraw/zinc/15/28/18/411152818.db2.gz NGYNQZXEVSSLNI-MRVPVSSYSA-N -1 0 239.275 0.805 20 0 BCADRM C[C@@H](O)CCCNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655883625 411152854 /nfs/dbraw/zinc/15/28/54/411152854.db2.gz DHXJQSOPAXLQLP-HTQZYQBOSA-N -1 0 232.280 0.167 20 0 BCADRM CCO[C@H]1C[C@@H](NC(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000655878631 411152893 /nfs/dbraw/zinc/15/28/93/411152893.db2.gz FWHUXTIRHYEUEI-HLTSFMKQSA-N -1 0 244.291 0.574 20 0 BCADRM C[C@@H](CNC(=O)NC[C@@H]1CCC[C@H]1O)C(=O)[O-] ZINC000655882819 411152931 /nfs/dbraw/zinc/15/29/31/411152931.db2.gz PEDFPPWSLAKVRT-XHNCKOQMSA-N -1 0 244.291 0.167 20 0 BCADRM C[C@@H](O)CN(C(=O)NCCCC(=O)[O-])C1CC1 ZINC000655880695 411152936 /nfs/dbraw/zinc/15/29/36/411152936.db2.gz XJVBZCUXENAEGU-MRVPVSSYSA-N -1 0 244.291 0.406 20 0 BCADRM CC[C@H](O)CCCNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655886079 411153449 /nfs/dbraw/zinc/15/34/49/411153449.db2.gz VXFZRMNHAUZTCH-BDAKNGLRSA-N -1 0 246.307 0.557 20 0 BCADRM C[C@H](CNC(=O)N1C[C@@H](C)[C@H]1C)C(=O)[O-] ZINC000655882011 411153489 /nfs/dbraw/zinc/15/34/89/411153489.db2.gz SSXYAOXILDKHCB-BWZBUEFSSA-N -1 0 214.265 0.757 20 0 BCADRM CC(C)[C@@H](CCO)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655886479 411153491 /nfs/dbraw/zinc/15/34/91/411153491.db2.gz YHNRQHWTMWOEEK-RKDXNWHRSA-N -1 0 246.307 0.413 20 0 BCADRM CC[C@H](CCO)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655884631 411153538 /nfs/dbraw/zinc/15/35/38/411153538.db2.gz IGLJUTHJGXAZKA-DTWKUNHWSA-N -1 0 246.307 0.415 20 0 BCADRM CC(C)[C@@H](CCO)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655886477 411153567 /nfs/dbraw/zinc/15/35/67/411153567.db2.gz YHNRQHWTMWOEEK-DTWKUNHWSA-N -1 0 246.307 0.413 20 0 BCADRM CC[C@H](NC(=O)NC[C@H](C)C(=O)[O-])[C@@H](C)O ZINC000655882067 411153631 /nfs/dbraw/zinc/15/36/31/411153631.db2.gz TZWCXKYXLXPASZ-RNJXMRFFSA-N -1 0 232.280 0.166 20 0 BCADRM COC[C@H]1CCN1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655882467 411153914 /nfs/dbraw/zinc/15/39/14/411153914.db2.gz XXUOCZJJTPBRFN-HTQZYQBOSA-N -1 0 230.264 0.137 20 0 BCADRM C[C@@H](CNC(=O)N(C)Cc1ccon1)C(=O)[O-] ZINC000655885767 411153983 /nfs/dbraw/zinc/15/39/83/411153983.db2.gz TZHOPDZQPBTBDT-ZETCQYMHSA-N -1 0 241.247 0.537 20 0 BCADRM CCC[C@@](C)(CO)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655884434 411154082 /nfs/dbraw/zinc/15/40/82/411154082.db2.gz GKURTPRQZUGMMP-KWQFWETISA-N -1 0 246.307 0.557 20 0 BCADRM C[C@H](O)C[C@H](C)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655884880 411154162 /nfs/dbraw/zinc/15/41/62/411154162.db2.gz LEWPCNNAOLEJCY-CIUDSAMLSA-N -1 0 246.307 0.413 20 0 BCADRM CC[C@](C)(O)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655888037 411154809 /nfs/dbraw/zinc/15/48/09/411154809.db2.gz SUCDBSMOGKVVOB-XVKPBYJWSA-N -1 0 232.280 0.167 20 0 BCADRM Cn1cc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000062135295 411164408 /nfs/dbraw/zinc/16/44/08/411164408.db2.gz WZMLBKPIDOKWJK-ZETCQYMHSA-N -1 0 238.247 0.359 20 0 BCADRM CC(C)[C@@H](CNC(=O)N[C@H]1C[C@@H](O)C1)C(=O)[O-] ZINC000655896373 411155595 /nfs/dbraw/zinc/15/55/95/411155595.db2.gz LOQUWHNNFGRWPP-HRDYMLBCSA-N -1 0 244.291 0.166 20 0 BCADRM CCO[C@H](C)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655569789 411156256 /nfs/dbraw/zinc/15/62/56/411156256.db2.gz NXGWZVCSHJZIIB-BDAKNGLRSA-N -1 0 231.292 0.884 20 0 BCADRM CCOCCNC(=O)NCCCCC(=O)[O-] ZINC000069732074 411158527 /nfs/dbraw/zinc/15/85/27/411158527.db2.gz GSCZDDBXQAOXRP-UHFFFAOYSA-N -1 0 232.280 0.577 20 0 BCADRM CC[C@@H](C)NC(=O)CN(CC(=O)[O-])C1CCC1 ZINC000655935260 411159916 /nfs/dbraw/zinc/15/99/16/411159916.db2.gz DRMGLNUTKVDSJF-SECBINFHSA-N -1 0 242.319 0.840 20 0 BCADRM C[C@@H](Cc1ccccn1)NC(=O)[C@H](C)C(=O)[O-] ZINC000655586567 411164640 /nfs/dbraw/zinc/16/46/40/411164640.db2.gz VTDFIDMMQGSIFK-IUCAKERBSA-N -1 0 236.271 0.850 20 0 BCADRM Cn1cc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000062135296 411164621 /nfs/dbraw/zinc/16/46/21/411164621.db2.gz WZMLBKPIDOKWJK-SSDOTTSWSA-N -1 0 238.247 0.359 20 0 BCADRM CCn1ccc(CC(=O)N[C@@H](C)C(=O)[O-])n1 ZINC000652058890 411100331 /nfs/dbraw/zinc/10/03/31/411100331.db2.gz LPIOOXNZYNMEBK-ZETCQYMHSA-N -1 0 225.248 0.035 20 0 BCADRM CCn1ccc(CC(=O)N(C)CCC(=O)[O-])n1 ZINC000652059293 411100725 /nfs/dbraw/zinc/10/07/25/411100725.db2.gz HWNWIFDWEGXWCD-UHFFFAOYSA-N -1 0 239.275 0.379 20 0 BCADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000659167524 411124017 /nfs/dbraw/zinc/12/40/17/411124017.db2.gz XHRUKDWZCAGWBH-IMSYWVGJSA-N -1 0 239.271 0.487 20 0 BCADRM C[C@H](CO)CNc1ncncc1C(=O)[O-] ZINC000300836318 411127208 /nfs/dbraw/zinc/12/72/08/411127208.db2.gz FZLNKULQODUGPE-LURJTMIESA-N -1 0 211.221 0.215 20 0 BCADRM CCCCN(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656004662 411167907 /nfs/dbraw/zinc/16/79/07/411167907.db2.gz PYJQKSPTGGTKEP-QMMMGPOBSA-N -1 0 244.291 0.082 20 0 BCADRM O=C([O-])CN(C(=O)c1cc[nH]n1)C1CCC1 ZINC000655592734 411168657 /nfs/dbraw/zinc/16/86/57/411168657.db2.gz OYYFFZZSFJBFJL-UHFFFAOYSA-N -1 0 223.232 0.489 20 0 BCADRM CCO[C@H](C)C(=O)N(CC(=O)[O-])C1CCC1 ZINC000655593045 411170548 /nfs/dbraw/zinc/17/05/48/411170548.db2.gz UIUJMZCTDFXFID-MRVPVSSYSA-N -1 0 229.276 0.877 20 0 BCADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)C1CCC1 ZINC000655602552 411172684 /nfs/dbraw/zinc/17/26/84/411172684.db2.gz DTIBMYQUSFKFPZ-NSHDSACASA-N -1 0 248.282 0.994 20 0 BCADRM C[C@@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)CO1 ZINC000401920829 411175101 /nfs/dbraw/zinc/17/51/01/411175101.db2.gz DYEIMHOASLGRMR-HTRCEHHLSA-N -1 0 223.232 0.764 20 0 BCADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(CCO)CC1 ZINC000401095047 411178721 /nfs/dbraw/zinc/17/87/21/411178721.db2.gz ZYADQEDGIWXCPX-NXEZZACHSA-N -1 0 241.287 0.328 20 0 BCADRM CC[C@H](NC(=O)CC[C@H]1CCOC1)C(=O)[O-] ZINC000401193805 411180256 /nfs/dbraw/zinc/18/02/56/411180256.db2.gz CPWKEFBGRPWLNX-IUCAKERBSA-N -1 0 229.276 0.783 20 0 BCADRM C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC000401215472 411181227 /nfs/dbraw/zinc/18/12/27/411181227.db2.gz AGLICRAIWKWPOP-KXUCPTDWSA-N -1 0 241.287 0.592 20 0 BCADRM COc1c(C)ncnc1NCc1n[nH]c(=O)[n-]1 ZINC000656142302 411185613 /nfs/dbraw/zinc/18/56/13/411185613.db2.gz SWKKXGDMKVOCJP-UHFFFAOYSA-N -1 0 236.235 0.229 20 0 BCADRM CCCCS(=O)(=O)N[C@H](CCF)C(=O)[O-] ZINC000656163078 411189320 /nfs/dbraw/zinc/18/93/20/411189320.db2.gz MTZHSZXIDIWFGU-SSDOTTSWSA-N -1 0 241.284 0.519 20 0 BCADRM CCN(C)C(=O)NCc1nocc1C(=O)[O-] ZINC000656165518 411189579 /nfs/dbraw/zinc/18/95/79/411189579.db2.gz USNQCQSVPRUGNM-UHFFFAOYSA-N -1 0 227.220 0.534 20 0 BCADRM CCCS(=O)(=O)N[C@H](CCF)C(=O)[O-] ZINC000656163213 411189634 /nfs/dbraw/zinc/18/96/34/411189634.db2.gz RIAPBDOGCZMWLB-ZCFIWIBFSA-N -1 0 227.257 0.129 20 0 BCADRM O=C([O-])CC1(NC(=O)C[C@H]2CCOC2)CC1 ZINC000401353486 411193184 /nfs/dbraw/zinc/19/31/84/411193184.db2.gz ZNSOVEIYCGGKFO-MRVPVSSYSA-N -1 0 227.260 0.537 20 0 BCADRM Cc1ccn2cnc(C(=O)N[C@@H](C)C(=O)[O-])c2c1 ZINC000659761229 411194701 /nfs/dbraw/zinc/19/47/01/411194701.db2.gz DGAOQXRTPUDHNN-QMMMGPOBSA-N -1 0 247.254 0.846 20 0 BCADRM CO[C@@H](C(=O)N[C@H](C)CC(=O)[O-])C1CCC1 ZINC000659760664 411194993 /nfs/dbraw/zinc/19/49/93/411194993.db2.gz QOFNHPVKRSZARW-GMSGAONNSA-N -1 0 229.276 0.781 20 0 BCADRM CO[C@@H](C(=O)NCCC(=O)[O-])C1CCC1 ZINC000659762633 411203242 /nfs/dbraw/zinc/20/32/42/411203242.db2.gz MZQFISCQNVBJRQ-SECBINFHSA-N -1 0 215.249 0.392 20 0 BCADRM CCn1cnc(C(=O)N(CC(=O)[O-])C(C)C)c1 ZINC000659763204 411204861 /nfs/dbraw/zinc/20/48/61/411204861.db2.gz AYQOXIMNWFSOMF-UHFFFAOYSA-N -1 0 239.275 0.838 20 0 BCADRM Cc1csc(NC(=O)c2n[nH]c(=O)[n-]2)n1 ZINC000048727461 411213809 /nfs/dbraw/zinc/21/38/09/411213809.db2.gz RJUJLUUUDVSTGR-UHFFFAOYSA-N -1 0 225.233 0.528 20 0 BCADRM C[C@H](CNC(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000659766648 411214045 /nfs/dbraw/zinc/21/40/45/411214045.db2.gz LAJLOGNBCVWVIZ-SSDOTTSWSA-N -1 0 237.259 0.280 20 0 BCADRM COC[C@H](NC(=O)c1ccc(OC)o1)C(=O)[O-] ZINC000656241778 411217285 /nfs/dbraw/zinc/21/72/85/411217285.db2.gz IENVJNHGRPSPJG-LURJTMIESA-N -1 0 243.215 0.118 20 0 BCADRM C[C@H](Cc1ccccn1)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000656247473 411217981 /nfs/dbraw/zinc/21/79/81/411217981.db2.gz MWZGIJVHOYVCNE-IEBDPFPHSA-N -1 0 248.282 0.850 20 0 BCADRM C[C@@](O)(CN1CCc2ccccc21)C(=O)[O-] ZINC000070713990 411217978 /nfs/dbraw/zinc/21/79/78/411217978.db2.gz ONILSDKCEQDHHK-GFCCVEGCSA-N -1 0 221.256 0.885 20 0 BCADRM CCn1cnc(C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000659768305 411219222 /nfs/dbraw/zinc/21/92/22/411219222.db2.gz WUQUXFPHFBXKAZ-ZETCQYMHSA-N -1 0 225.248 0.354 20 0 BCADRM CCN(C(=O)c1cn(CC)cn1)[C@@H](C)C(=O)[O-] ZINC000659768406 411219253 /nfs/dbraw/zinc/21/92/53/411219253.db2.gz FHSBWWYWOJVNPR-QMMMGPOBSA-N -1 0 239.275 0.838 20 0 BCADRM CCN(C(=O)[C@H](C)OC)[C@@H](C)C(=O)[O-] ZINC000659772723 411225735 /nfs/dbraw/zinc/22/57/35/411225735.db2.gz QOGMPATYRYUGRK-BQBZGAKWSA-N -1 0 203.238 0.343 20 0 BCADRM CCN(C(=O)c1cn(C)nc1C)[C@H](C)C(=O)[O-] ZINC000659773149 411228777 /nfs/dbraw/zinc/22/87/77/411228777.db2.gz VLHVZBUCORVFLX-MRVPVSSYSA-N -1 0 239.275 0.664 20 0 BCADRM O=C(NC[C@@H]1CC=CCC1)c1n[nH]c(=O)[n-]1 ZINC000049295178 411230168 /nfs/dbraw/zinc/23/01/68/411230168.db2.gz AWMFYYHMFNFAJF-SSDOTTSWSA-N -1 0 222.248 0.184 20 0 BCADRM O=C(NC[C@H]1CC=CCC1)c1n[nH]c(=O)[n-]1 ZINC000049295181 411230224 /nfs/dbraw/zinc/23/02/24/411230224.db2.gz AWMFYYHMFNFAJF-ZETCQYMHSA-N -1 0 222.248 0.184 20 0 BCADRM Cc1ncsc1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000070837026 411232143 /nfs/dbraw/zinc/23/21/43/411232143.db2.gz OWWYXBHEXVJURA-RQJHMYQMSA-N -1 0 240.284 0.788 20 0 BCADRM Cc1cc(N(C)[C@@H](C)C(=O)[O-])n2ncnc2n1 ZINC000054054817 411232930 /nfs/dbraw/zinc/23/29/30/411232930.db2.gz JLGQGFZMRRYZAX-ZETCQYMHSA-N -1 0 235.247 0.342 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)c1ncnc2c1cnn2C ZINC000054054937 411233271 /nfs/dbraw/zinc/23/32/71/411233271.db2.gz OAXHCGSPPZXVEN-LURJTMIESA-N -1 0 235.247 0.273 20 0 BCADRM CNC(=O)CNC(=O)c1c([O-])cc(F)cc1F ZINC000049447580 411236042 /nfs/dbraw/zinc/23/60/42/411236042.db2.gz TXFSYAGGAXAPMQ-UHFFFAOYSA-N -1 0 244.197 0.146 20 0 BCADRM CN1C[C@@H](Nc2ccnc(C(=O)[O-])c2)CC1=O ZINC000310506892 411239228 /nfs/dbraw/zinc/23/92/28/411239228.db2.gz ORZYATFFYOEUKJ-QMMMGPOBSA-N -1 0 235.243 0.422 20 0 BCADRM CCC(CC)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655974330 411165113 /nfs/dbraw/zinc/16/51/13/411165113.db2.gz ANXVNKIQHPPLKW-SSDOTTSWSA-N -1 0 244.291 0.128 20 0 BCADRM CCSC1(CNC(=O)N(C)CC(=O)[O-])CC1 ZINC000596027575 411165361 /nfs/dbraw/zinc/16/53/61/411165361.db2.gz FFMZXXLPTSHZNR-UHFFFAOYSA-N -1 0 246.332 0.998 20 0 BCADRM Cc1cc(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)ncn1 ZINC000652536592 411265607 /nfs/dbraw/zinc/26/56/07/411265607.db2.gz BVJBXAPLCDOLJB-RKDXNWHRSA-N -1 0 237.259 0.463 20 0 BCADRM C[C@H](C(=O)[O-])C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000659784119 411267290 /nfs/dbraw/zinc/26/72/90/411267290.db2.gz DQRBQLVCWOBMRC-XHNCKOQMSA-N -1 0 227.260 0.202 20 0 BCADRM CO[C@@]1(C)C[C@H]1Nc1ncncc1C(=O)[O-] ZINC000659787949 411274692 /nfs/dbraw/zinc/27/46/92/411274692.db2.gz HTKNTMVAOJJUNH-XCBNKYQSSA-N -1 0 223.232 0.764 20 0 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226.232 0.904 20 0 BCADRM CC[C@@H](C)CN(C)C(=O)CNC(=O)[O-] ZINC000736879421 585018680 /nfs/dbraw/zinc/01/86/80/585018680.db2.gz DCDBACZALOPTGV-SSDOTTSWSA-N -1 0 202.254 0.759 20 0 BCADRM CCC(CC)[C@@H](O)CNC(=O)CN(C)C(=O)[O-] ZINC000736896143 585019247 /nfs/dbraw/zinc/01/92/47/585019247.db2.gz YKQNUJFYIAUDCG-VIFPVBQESA-N -1 0 246.307 0.510 20 0 BCADRM CC[C@@H]1CO[C@H](C)CN1C(=O)CCNC(=O)[O-] ZINC000736945938 585019670 /nfs/dbraw/zinc/01/96/70/585019670.db2.gz ZWCMQZZOORFQTN-RKDXNWHRSA-N -1 0 244.291 0.670 20 0 BCADRM CC[C@H]1CN(C(=O)CN(C)C(=O)[O-])C[C@@H](C)O1 ZINC000736936861 585019787 /nfs/dbraw/zinc/01/97/87/585019787.db2.gz CKWCZABYVIIJJE-BDAKNGLRSA-N -1 0 244.291 0.622 20 0 BCADRM CC[C@H]1COCCN1C(=O)CCNC(=O)[O-] ZINC000736948392 585019902 /nfs/dbraw/zinc/01/99/02/585019902.db2.gz FXNYFHCDKCOQMX-QMMMGPOBSA-N -1 0 230.264 0.282 20 0 BCADRM CCCC(=O)COC(=O)CCNC(=O)[O-] ZINC000736947737 585019903 /nfs/dbraw/zinc/01/99/03/585019903.db2.gz DMYJOLSAEKJILT-UHFFFAOYSA-N -1 0 217.221 0.557 20 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BCADRM CCCC(=O)COC(=O)CNC(=O)[O-] ZINC000736949540 585020049 /nfs/dbraw/zinc/02/00/49/585020049.db2.gz SWBMNSPWRCGBNK-UHFFFAOYSA-N -1 0 203.194 0.166 20 0 BCADRM CCCCCC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736983710 585021578 /nfs/dbraw/zinc/02/15/78/585021578.db2.gz FZFUBXTYFHCTLV-UHFFFAOYSA-N -1 0 240.263 0.951 20 0 BCADRM CCCC[C@H](COC)NC(=O)CCNC(=O)[O-] ZINC000736983313 585021597 /nfs/dbraw/zinc/02/15/97/585021597.db2.gz ZDNFISCCNMKTRS-SECBINFHSA-N -1 0 246.307 0.966 20 0 BCADRM CCCCOC(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000736999029 585022087 /nfs/dbraw/zinc/02/20/87/585022087.db2.gz SQOZKVLJIFQJCL-YUMQZZPRSA-N -1 0 244.243 0.594 20 0 BCADRM CCCN(C(=O)CN(C)C(=O)[O-])C1CC1 ZINC000737009120 585022291 /nfs/dbraw/zinc/02/22/91/585022291.db2.gz OHCIMPYRXBFJCK-UHFFFAOYSA-N -1 0 214.265 0.997 20 0 BCADRM CCCN(C)C(=O)CCCNC(=O)[O-] ZINC000737009938 585022318 /nfs/dbraw/zinc/02/23/18/585022318.db2.gz VDSZCFCKDLSQOP-UHFFFAOYSA-N -1 0 202.254 0.903 20 0 BCADRM CCCN(CC(=O)[O-])C(=O)c1ccc[n+]([O-])c1 ZINC000737012673 585022390 /nfs/dbraw/zinc/02/23/90/585022390.db2.gz JXSCCUKHWFDIHG-UHFFFAOYSA-N -1 0 238.243 0.257 20 0 BCADRM CCn1cc(C(=O)OCCCC(=O)[O-])cn1 ZINC000737916753 585022709 /nfs/dbraw/zinc/02/27/09/585022709.db2.gz UUYIMXFYFBBJDE-UHFFFAOYSA-N -1 0 226.232 0.925 20 0 BCADRM CCCOCCOC(=O)CN(C)C(=O)[O-] ZINC000737027725 585022799 /nfs/dbraw/zinc/02/27/99/585022799.db2.gz IJMPEFBUJBRLKH-UHFFFAOYSA-N -1 0 219.237 0.566 20 0 BCADRM CCCc1cc(NC(=O)CNC(=O)[O-])n[nH]1 ZINC000737044417 585023397 /nfs/dbraw/zinc/02/33/97/585023397.db2.gz GAFUGFPKYFBRKS-UHFFFAOYSA-N -1 0 226.236 0.568 20 0 BCADRM CCCn1nccc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000737049297 585023577 /nfs/dbraw/zinc/02/35/77/585023577.db2.gz DZYCOUKJSYAILN-JGVFFNPUSA-N -1 0 237.259 0.952 20 0 BCADRM CS(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC000115014683 585023951 /nfs/dbraw/zinc/02/39/51/585023951.db2.gz KETQYEGNQCNKPR-UHFFFAOYSA-N -1 0 207.251 0.173 20 0 BCADRM CCN(C(=O)CNC(=O)[O-])C1CCC1 ZINC000737060129 585024240 /nfs/dbraw/zinc/02/42/40/585024240.db2.gz GSXAOOKRJYTWEQ-UHFFFAOYSA-N -1 0 200.238 0.655 20 0 BCADRM CCN(CC(=O)OC)C(=O)CCCNC(=O)[O-] ZINC000737079121 585025274 /nfs/dbraw/zinc/02/52/74/585025274.db2.gz KBCPIXPKVORSAR-UHFFFAOYSA-N -1 0 246.263 0.056 20 0 BCADRM CCN(CC)C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000737080090 585025444 /nfs/dbraw/zinc/02/54/44/585025444.db2.gz ULYGTXRRGXOPQF-HTQZYQBOSA-N -1 0 243.259 0.119 20 0 BCADRM CCN(CC1CC1)C(=O)CCNC(=O)[O-] ZINC000737094783 585025658 /nfs/dbraw/zinc/02/56/58/585025658.db2.gz VGUHVOXNFDUUFN-UHFFFAOYSA-N -1 0 214.265 0.903 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)CCNC(=O)OC ZINC000737094704 585025672 /nfs/dbraw/zinc/02/56/72/585025672.db2.gz IRLJLDJQIZHSQR-UHFFFAOYSA-N -1 0 246.263 0.056 20 0 BCADRM CCN(CCOC)C(=O)C(C)(C)NC(=O)[O-] ZINC000737104058 585025742 /nfs/dbraw/zinc/02/57/42/585025742.db2.gz MYXVWIVSDQLVNN-UHFFFAOYSA-N -1 0 232.280 0.528 20 0 BCADRM CCNC(=S)Nc1ccn(CC(=O)[O-])n1 ZINC000737122375 585026013 /nfs/dbraw/zinc/02/60/13/585026013.db2.gz LZOPZXHWIRXALB-UHFFFAOYSA-N -1 0 228.277 0.274 20 0 BCADRM CCOC(=O)CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000737136701 585026150 /nfs/dbraw/zinc/02/61/50/585026150.db2.gz PCUZVSROWVVEFN-XVKPBYJWSA-N -1 0 245.275 0.555 20 0 BCADRM CCOC(=O)CN(C)Cc1cc(C(=O)[O-])co1 ZINC000737137547 585026301 /nfs/dbraw/zinc/02/63/01/585026301.db2.gz CRVKPWCQDHHOCH-UHFFFAOYSA-N -1 0 241.243 0.973 20 0 BCADRM CCOC(=O)COC(=O)CCCNC(=O)[O-] ZINC000737142198 585026329 /nfs/dbraw/zinc/02/63/29/585026329.db2.gz AVZPIYLSXWHHAY-UHFFFAOYSA-N -1 0 233.220 0.141 20 0 BCADRM COc1ccsc1C(=O)OCc1nnn[n-]1 ZINC000737158712 585026558 /nfs/dbraw/zinc/02/65/58/585026558.db2.gz GEMSKHGXHBKCTJ-UHFFFAOYSA-N -1 0 240.244 0.627 20 0 BCADRM CCO[C@@H]1C[C@@H]1C(=O)OCCNC(=O)[O-] ZINC000737164818 585026601 /nfs/dbraw/zinc/02/66/01/585026601.db2.gz KHNXHTIPYLHXGZ-NKWVEPMBSA-N -1 0 217.221 0.222 20 0 BCADRM CCOCCCCNC(=O)CCNC(=O)[O-] ZINC000737164429 585026638 /nfs/dbraw/zinc/02/66/38/585026638.db2.gz PTDMCTLQHIIMJI-UHFFFAOYSA-N -1 0 232.280 0.577 20 0 BCADRM CCOCCN(CC)C(=O)C(C)(C)NC(=O)[O-] ZINC000737167022 585026639 /nfs/dbraw/zinc/02/66/39/585026639.db2.gz LZQKIPUXHUXXTA-UHFFFAOYSA-N -1 0 246.307 0.918 20 0 BCADRM CCOCCCOC(=O)CCNC(=O)[O-] ZINC000737169010 585026712 /nfs/dbraw/zinc/02/67/12/585026712.db2.gz YYMXMQLRAYDURG-UHFFFAOYSA-N -1 0 219.237 0.614 20 0 BCADRM CCONC(=O)NCCCCCC(=O)[O-] ZINC000737179497 585027103 /nfs/dbraw/zinc/02/71/03/585027103.db2.gz MAUCONNRXUAOND-UHFFFAOYSA-N -1 0 218.253 0.882 20 0 BCADRM C[C@@H](CC(=O)N(C)C[C@H]1CCOC1)NC(=O)[O-] ZINC000824552210 585028853 /nfs/dbraw/zinc/02/88/53/585028853.db2.gz PGMPCGFKHZHLTC-DTWKUNHWSA-N -1 0 244.291 0.528 20 0 BCADRM C[C@H](O)CN(C)C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000825521046 585029265 /nfs/dbraw/zinc/02/92/65/585029265.db2.gz KATHGEGDEWEXAK-IUCAKERBSA-N -1 0 244.291 0.358 20 0 BCADRM CC1(C)CCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000825719503 585029632 /nfs/dbraw/zinc/02/96/32/585029632.db2.gz RVALPCVOTPNGAL-MRVPVSSYSA-N -1 0 242.275 0.376 20 0 BCADRM CCc1noc(COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC000737292720 585029753 /nfs/dbraw/zinc/02/97/53/585029753.db2.gz SEGREYPQMDOXJR-NTSWFWBYSA-N -1 0 240.215 0.396 20 0 BCADRM CCc1nnc(COC(=O)[C@H]2C[C@H]2C(=O)[O-])o1 ZINC000737288851 585029776 /nfs/dbraw/zinc/02/97/76/585029776.db2.gz WULDRGCPJHJIDG-RITPCOANSA-N -1 0 240.215 0.396 20 0 BCADRM CCc1nnc2n1CCN(CCCC(=O)[O-])C2 ZINC000737288881 585029952 /nfs/dbraw/zinc/02/99/52/585029952.db2.gz YLRRFVJNPSQXOY-UHFFFAOYSA-N -1 0 238.291 0.521 20 0 BCADRM CCn1nccc1NC(=O)CCCNC(=O)[O-] ZINC000737312025 585030091 /nfs/dbraw/zinc/03/00/91/585030091.db2.gz KAIWDGOXHBLHMC-UHFFFAOYSA-N -1 0 240.263 0.889 20 0 BCADRM CCn1nnnc1-c1cccc(NCC(=O)[O-])c1 ZINC000737312434 585030165 /nfs/dbraw/zinc/03/01/65/585030165.db2.gz ODCGQUKUNQIGAM-UHFFFAOYSA-N -1 0 247.258 0.857 20 0 BCADRM CN(C(=O)CCNC(=O)[O-])c1nccs1 ZINC000737319866 585030208 /nfs/dbraw/zinc/03/02/08/585030208.db2.gz QUGMIFKIXAOQKQ-UHFFFAOYSA-N -1 0 229.261 0.764 20 0 BCADRM CN(C(=O)CCCNC(=O)[O-])C1CC1 ZINC000737317710 585030240 /nfs/dbraw/zinc/03/02/40/585030240.db2.gz JJKPDAXPBWQMBQ-UHFFFAOYSA-N -1 0 200.238 0.655 20 0 BCADRM CN(CC(=O)N(C)Cc1cnccn1)C(=O)[O-] ZINC000737385952 585031195 /nfs/dbraw/zinc/03/11/95/585031195.db2.gz HXJIDYTZRQIQSF-UHFFFAOYSA-N -1 0 238.247 0.045 20 0 BCADRM CN(CC(=O)NC[C@@H]1CC1(C)C)C(=O)[O-] ZINC000737394511 585031384 /nfs/dbraw/zinc/03/13/84/585031384.db2.gz MHZSVRXTWRUNNT-ZETCQYMHSA-N -1 0 214.265 0.759 20 0 BCADRM CN(CC(=O)Nc1ccc(F)cn1)C(=O)[O-] ZINC000737397193 585031411 /nfs/dbraw/zinc/03/14/11/585031411.db2.gz PCTSMXXBWCAEFD-UHFFFAOYSA-N -1 0 227.195 0.769 20 0 BCADRM CN(CC(=O)OCC(=O)[O-])c1ccccc1 ZINC000737406671 585031790 /nfs/dbraw/zinc/03/17/90/585031790.db2.gz OYLFWFBYLSKNCE-UHFFFAOYSA-N -1 0 223.228 0.751 20 0 BCADRM CN(C[C@@H]1CCCOC1)C(=O)CNC(=O)[O-] ZINC000737413738 585031818 /nfs/dbraw/zinc/03/18/18/585031818.db2.gz SBKSSZZIQLQSJA-QMMMGPOBSA-N -1 0 230.264 0.139 20 0 BCADRM CN(CCCC(=O)N1CCC[C@H](O)C1)C(=O)[O-] ZINC000737417673 585031964 /nfs/dbraw/zinc/03/19/64/585031964.db2.gz JLKCGJCGEDQIOL-VIFPVBQESA-N -1 0 244.291 0.360 20 0 BCADRM CN(CCCC(=O)N1CCCC1)C(=O)[O-] ZINC000737416685 585032019 /nfs/dbraw/zinc/03/20/19/585032019.db2.gz DFPXPYUGBUTKIL-UHFFFAOYSA-N -1 0 214.265 0.999 20 0 BCADRM CN(CCCC(=O)OCCCCO)C(=O)[O-] ZINC000737433210 585032095 /nfs/dbraw/zinc/03/20/95/585032095.db2.gz GVCPIDUKVDYMGB-UHFFFAOYSA-N -1 0 233.264 0.692 20 0 BCADRM C[C@](O)(CNc1cccc(Cl)n1)C(=O)[O-] ZINC000841506702 585035060 /nfs/dbraw/zinc/03/50/60/585035060.db2.gz XBPWPIJCYYQLSW-VIFPVBQESA-N -1 0 230.651 0.983 20 0 BCADRM CNC(=O)CNc1cc(C(=O)[O-])ccc1C ZINC000737540346 585035512 /nfs/dbraw/zinc/03/55/12/585035512.db2.gz NOVJZECEBBOWPH-UHFFFAOYSA-N -1 0 222.244 0.851 20 0 BCADRM CNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000737541281 585035656 /nfs/dbraw/zinc/03/56/56/585035656.db2.gz WCXCPTQHVXYAHU-UHFFFAOYSA-N -1 0 238.243 0.512 20 0 BCADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)C1CC=CC1 ZINC000737566589 585036252 /nfs/dbraw/zinc/03/62/52/585036252.db2.gz MOEGVOUFJMLDSV-QMMMGPOBSA-N -1 0 241.243 0.085 20 0 BCADRM COC(=O)C(C)(C)N(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000737562443 585036312 /nfs/dbraw/zinc/03/63/12/585036312.db2.gz NKQSPVXZLMDKAK-BQBZGAKWSA-N -1 0 243.259 0.117 20 0 BCADRM COC(=O)COC(=O)CCCN(C)C(=O)[O-] ZINC000737623530 585037491 /nfs/dbraw/zinc/03/74/91/585037491.db2.gz VXKNWXLLSGXNPZ-UHFFFAOYSA-N -1 0 233.220 0.093 20 0 BCADRM COC(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000737632175 585037664 /nfs/dbraw/zinc/03/76/64/585037664.db2.gz GZRVJIWAAYMJEV-LURJTMIESA-N -1 0 201.222 0.938 20 0 BCADRM CC(C)OC(=O)CCN1CCN(C(=O)[O-])CC1 ZINC000737641600 585037946 /nfs/dbraw/zinc/03/79/46/585037946.db2.gz UPSAIOCKEAGBIQ-UHFFFAOYSA-N -1 0 244.291 0.624 20 0 BCADRM CCOC(=O)CN1CCC(N(C)C(=O)[O-])CC1 ZINC000737861643 585038801 /nfs/dbraw/zinc/03/88/01/585038801.db2.gz MKFCKDLKYRQRGJ-UHFFFAOYSA-N -1 0 244.291 0.624 20 0 BCADRM O=C(CCc1cscn1)OCc1nnn[n-]1 ZINC000737861313 585038827 /nfs/dbraw/zinc/03/88/27/585038827.db2.gz SAVRWFYXZBFXEM-UHFFFAOYSA-N -1 0 239.260 0.332 20 0 BCADRM CCO[C@H](CC)C(=O)OCCN(C)C(=O)[O-] ZINC000737882626 585039059 /nfs/dbraw/zinc/03/90/59/585039059.db2.gz QNSKKZDDEBKCBC-MRVPVSSYSA-N -1 0 233.264 0.955 20 0 BCADRM COc1cc2c(nn1)CCN(CCC(=O)[O-])C2 ZINC000737908420 585039190 /nfs/dbraw/zinc/03/91/90/585039190.db2.gz USTVPQFXWPIAJW-UHFFFAOYSA-N -1 0 237.259 0.318 20 0 BCADRM CCc1ncncc1C(=O)O[C@@H](C)C(=O)[O-] ZINC000737912254 585039550 /nfs/dbraw/zinc/03/95/50/585039550.db2.gz OLIUSZHNIINARB-LURJTMIESA-N -1 0 224.216 0.669 20 0 BCADRM CNC(=O)C1(C(=O)OCCCCC(=O)[O-])CC1 ZINC000738015226 585040175 /nfs/dbraw/zinc/04/01/75/585040175.db2.gz SDAXONVRVYNGPS-UHFFFAOYSA-N -1 0 243.259 0.311 20 0 BCADRM COC(=O)[C@H](C)N1CCC(N(C)C(=O)[O-])CC1 ZINC000738028932 585040677 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/nfs/dbraw/zinc/04/22/89/585042289.db2.gz UWWZCCNMJLEPCV-SSDOTTSWSA-N -1 0 222.244 0.979 20 0 BCADRM O=C(c1ccoc1)N1CCOC[C@H]1c1nnn[n-]1 ZINC000738288425 585042379 /nfs/dbraw/zinc/04/23/79/585042379.db2.gz ARXCHKVIUKMQAD-QMMMGPOBSA-N -1 0 249.230 0.006 20 0 BCADRM Cc1nc(C(=O)N2CCN(C(=O)[O-])CC2)c[nH]1 ZINC000738337680 585043111 /nfs/dbraw/zinc/04/31/11/585043111.db2.gz BGZZLTANPXJBOS-UHFFFAOYSA-N -1 0 238.247 0.154 20 0 BCADRM Nc1nc(Cl)cc(N2CC(C(=O)[O-])C2)n1 ZINC000841510753 585045857 /nfs/dbraw/zinc/04/58/57/585045857.db2.gz ARWWJQHUCJJIKU-UHFFFAOYSA-N -1 0 228.639 0.233 20 0 BCADRM O=C([O-])C1(C(=O)Nn2cnc3ccccc32)CC1 ZINC000738519274 585047016 /nfs/dbraw/zinc/04/70/16/585047016.db2.gz DEBMNEXLSYDOCK-UHFFFAOYSA-N -1 0 245.238 0.971 20 0 BCADRM CCC[C@H](NC(=O)c1cc(=O)[nH][n-]1)C1CCC1 ZINC000838313368 585052906 /nfs/dbraw/zinc/05/29/06/585052906.db2.gz VVOHAQYFGLDINJ-VIFPVBQESA-N -1 0 237.303 0.947 20 0 BCADRM CC(C)n1ccc(CC(=O)N(C)CC(=O)[O-])n1 ZINC000738891729 585054049 /nfs/dbraw/zinc/05/40/49/585054049.db2.gz VJCVDQXXJZVQTF-UHFFFAOYSA-N -1 0 239.275 0.550 20 0 BCADRM CC(C)S(=O)(=O)[N-]C(=O)[C@]1(C)CCCCO1 ZINC000838794158 585068741 /nfs/dbraw/zinc/06/87/41/585068741.db2.gz UZOQRFPXNBXPKW-JTQLQIEISA-N -1 0 249.332 0.800 20 0 BCADRM COCC1(C(=O)[N-]S(C)(=O)=O)CCCC1 ZINC000838781693 585069733 /nfs/dbraw/zinc/06/97/33/585069733.db2.gz CMKQZNOJDRFQPS-UHFFFAOYSA-N -1 0 235.305 0.269 20 0 BCADRM CC(C)OCC(=O)[N-]OC[C@H]1CCOC1 ZINC000788120279 585077040 /nfs/dbraw/zinc/07/70/40/585077040.db2.gz WDTKMLILIQKYSJ-VIFPVBQESA-N -1 0 217.265 0.496 20 0 BCADRM CC(C)=CC(=O)[N-]S(=O)(=O)c1cccn1C ZINC000839065566 585089708 /nfs/dbraw/zinc/08/97/08/585089708.db2.gz OSWKICJLRDSIAU-UHFFFAOYSA-N -1 0 242.300 0.796 20 0 BCADRM C[C@@H]1CC(NC(=O)c2cc(=O)[nH][n-]2)C[C@@H](C)C1 ZINC000740142654 585096293 /nfs/dbraw/zinc/09/62/93/585096293.db2.gz TVUSMYMYCLQVGI-YUMQZZPRSA-N -1 0 237.303 0.803 20 0 BCADRM C[C@H]1C[C@H](NC(=O)c2cc(=O)[nH][n-]2)C[C@@H](C)C1 ZINC000740142652 585096426 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GDAHQPCRRRXXOG-UHFFFAOYSA-N -1 0 245.304 0.364 20 0 BCADRM Cc1nn(C)cc1NC(=O)c1n[nH]c(C)c1[O-] ZINC000749241312 585200718 /nfs/dbraw/zinc/20/07/18/585200718.db2.gz NGNJIDNSZPWJSI-UHFFFAOYSA-N -1 0 235.247 0.718 20 0 BCADRM CCO[C@@H]1C[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000749617448 585204360 /nfs/dbraw/zinc/20/43/60/585204360.db2.gz KNJLYDPKMOGYET-OPRDCNLKSA-N -1 0 229.276 0.986 20 0 BCADRM CC(C)CO[N-]C(=O)C1(C(=O)NC2CC2)CC1 ZINC000750232772 585212348 /nfs/dbraw/zinc/21/23/48/585212348.db2.gz JNTSDRLWZDHMEO-UHFFFAOYSA-N -1 0 240.303 0.749 20 0 BCADRM CC(C)CO[N-]C(=O)CN1CCCNC1=O ZINC000750218582 585212400 /nfs/dbraw/zinc/21/24/00/585212400.db2.gz IVQWEEPADPTNKU-UHFFFAOYSA-N -1 0 229.280 0.106 20 0 BCADRM CCN1CCO[C@H](C(=O)[N-]OCC(C)C)C1 ZINC000750529586 585216764 /nfs/dbraw/zinc/21/67/64/585216764.db2.gz ZIARAKIOBDHZJR-JTQLQIEISA-N -1 0 230.308 0.411 20 0 BCADRM C[C@@H](C(=O)[N-]S(C)(=O)=O)C1CCCC1 ZINC000750672994 585218296 /nfs/dbraw/zinc/21/82/96/585218296.db2.gz 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249.332 0.658 20 0 BCADRM CCC1(C(=O)[N-]O[C@@H]2CCCCO2)COC1 ZINC000755279374 585297057 /nfs/dbraw/zinc/29/70/57/585297057.db2.gz KYXQPQJIWYAKOZ-SECBINFHSA-N -1 0 229.276 0.987 20 0 BCADRM O=C(N=c1cn[n-]s1)NOC[C@@H]1CCOC1 ZINC000755341619 585297901 /nfs/dbraw/zinc/29/79/01/585297901.db2.gz YIEMWEXETPFWQN-ZCFIWIBFSA-N -1 0 244.276 0.628 20 0 BCADRM CCCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCCO1 ZINC000756216568 585315962 /nfs/dbraw/zinc/31/59/62/585315962.db2.gz CHGIJDNLFVNDEX-JTQLQIEISA-N -1 0 249.332 0.802 20 0 BCADRM CC1(C)OCC([N-]C(=O)C(F)(F)F)CO1 ZINC000756704475 585322328 /nfs/dbraw/zinc/32/23/28/585322328.db2.gz OCAYQDRELSWRQL-UHFFFAOYSA-N -1 0 227.182 0.816 20 0 BCADRM CC[C@@H]1CC[C@@H](C(=O)[N-]OCCOC)O1 ZINC000756960613 585325702 /nfs/dbraw/zinc/32/57/02/585325702.db2.gz MFSNKUKXKOEEMY-BDAKNGLRSA-N -1 0 217.265 0.638 20 0 BCADRM COCCCO[N-]C(=O)[C@H](CC(C)C)C(N)=O ZINC000839765864 585338985 /nfs/dbraw/zinc/33/89/85/585338985.db2.gz XIDWEROEWFMKME-SECBINFHSA-N -1 0 246.307 0.218 20 0 BCADRM CO[C@@H](C(=O)[N-]OCC(C)(C)O)C(C)C ZINC000839746138 585339960 /nfs/dbraw/zinc/33/99/60/585339960.db2.gz WJBRMDGZXGNKLF-MRVPVSSYSA-N -1 0 219.281 0.476 20 0 BCADRM CCO[C@H](CC)C(=O)[N-]OCC(C)(C)O ZINC000839746259 585339969 /nfs/dbraw/zinc/33/99/69/585339969.db2.gz TUJPHURAFVRBKV-MRVPVSSYSA-N -1 0 219.281 0.620 20 0 BCADRM CC(C)(O)CO[N-]C(=O)CSC1CC1 ZINC000839746503 585340166 /nfs/dbraw/zinc/34/01/66/585340166.db2.gz WYSRDJQJSGHAKE-UHFFFAOYSA-N -1 0 219.306 0.701 20 0 BCADRM CC1(C)CCCC[C@@H]1NC(=O)c1cc(=O)[nH][n-]1 ZINC000758314263 585353615 /nfs/dbraw/zinc/35/36/15/585353615.db2.gz SOSNKEYSXIYTRB-VIFPVBQESA-N -1 0 237.303 0.947 20 0 BCADRM C[C@@H]1CC[C@@H](NC(=O)c2cc(=O)[nH][n-]2)C[C@H]1C ZINC000758722578 585359121 /nfs/dbraw/zinc/35/91/21/585359121.db2.gz GWPKUOAVCJWDQI-IWSPIJDZSA-N -1 0 237.303 0.803 20 0 BCADRM CON(C(=O)c1cc(=O)[nH][n-]1)C1CCCC1 ZINC000758768785 585359664 /nfs/dbraw/zinc/35/96/64/585359664.db2.gz NDIGKFSKFPRYBF-UHFFFAOYSA-N -1 0 225.248 0.195 20 0 BCADRM C[C@H](C(=O)[N-]OCC(F)F)c1cnn(C)c1 ZINC000759338741 585368660 /nfs/dbraw/zinc/36/86/60/585368660.db2.gz KEWJPKIRAKGKRJ-LURJTMIESA-N -1 0 233.218 0.837 20 0 BCADRM C[C@]1(C(=O)[N-]OCC(F)F)CCCO1 ZINC000759350442 585370900 /nfs/dbraw/zinc/37/09/00/585370900.db2.gz AVRHYCYLLICGBQ-MRVPVSSYSA-N -1 0 209.192 0.868 20 0 BCADRM COCCCOCC(=O)[N-]OCC(F)F ZINC000759349868 585371063 /nfs/dbraw/zinc/37/10/63/585371063.db2.gz RFJSBKXFQFGEJA-UHFFFAOYSA-N -1 0 227.207 0.352 20 0 BCADRM O=C([N-]S(=O)(=O)CCCF)[C@@H]1CC12CCC2 ZINC000759848574 585381369 /nfs/dbraw/zinc/38/13/69/585381369.db2.gz NZUDQKWJBLJYCS-QMMMGPOBSA-N -1 0 249.307 0.982 20 0 BCADRM O=C([N-]OCC(F)F)c1ccc[nH]c1=O ZINC000760147085 585386108 /nfs/dbraw/zinc/38/61/08/585386108.db2.gz KSIHDTFETXROMO-UHFFFAOYSA-N -1 0 218.159 0.714 20 0 BCADRM Cc1nc(C2CC2)oc1C(=O)[N-]N1CN=NC1=O ZINC000760425625 585392444 /nfs/dbraw/zinc/39/24/44/585392444.db2.gz GPRLOIGXZYBZRU-UHFFFAOYSA-N -1 0 249.230 0.541 20 0 BCADRM C/C=C(/C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 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ZINC000824583525 587278243 /nfs/dbraw/zinc/27/82/43/587278243.db2.gz UNMMUXBSGFUPPJ-RKDXNWHRSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@H](CC(=O)N[C@@](C)(CO)C1CC1)NC(=O)[O-] ZINC000824606276 587278741 /nfs/dbraw/zinc/27/87/41/587278741.db2.gz OQSWHNJTABRJGZ-HQJQHLMTSA-N -1 0 244.291 0.310 20 0 BCADRM C[C@@H](CC(=O)N1CCO[C@@H](C)C1)NC(=O)[O-] ZINC000824600288 587278809 /nfs/dbraw/zinc/27/88/09/587278809.db2.gz WHZFYYODSVCGKD-YUMQZZPRSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@@H](CC(=O)N1CCS[C@@H](C)C1)NC(=O)[O-] ZINC000824598445 587278835 /nfs/dbraw/zinc/27/88/35/587278835.db2.gz DKKVLUHAIGVLJM-YUMQZZPRSA-N -1 0 246.332 0.997 20 0 BCADRM C[C@@H](CC(=O)N[C@@](C)(CO)C1CC1)NC(=O)[O-] ZINC000824606275 587278914 /nfs/dbraw/zinc/27/89/14/587278914.db2.gz OQSWHNJTABRJGZ-CPCISQLKSA-N -1 0 244.291 0.310 20 0 BCADRM C[C@H](CC(=O)N[C@@H](C)[C@H]1CCCO1)NC(=O)[O-] ZINC000824605707 587278967 /nfs/dbraw/zinc/27/89/67/587278967.db2.gz LHJULWBCJTYLEC-HRDYMLBCSA-N -1 0 244.291 0.716 20 0 BCADRM C[C@@H](CC(=O)N1CCS[C@H](C)C1)NC(=O)[O-] ZINC000824598443 587279020 /nfs/dbraw/zinc/27/90/20/587279020.db2.gz DKKVLUHAIGVLJM-JGVFFNPUSA-N -1 0 246.332 0.997 20 0 BCADRM C[C@H](CC(=O)N[C@H](C)[C@@H]1CCCO1)NC(=O)[O-] ZINC000824605705 587279071 /nfs/dbraw/zinc/27/90/71/587279071.db2.gz LHJULWBCJTYLEC-HLTSFMKQSA-N -1 0 244.291 0.716 20 0 BCADRM C[C@H](CC(=O)N[C@H](C)[C@H]1CCOC1)NC(=O)[O-] ZINC000824605599 587279084 /nfs/dbraw/zinc/27/90/84/587279084.db2.gz KKHAAIHHFAADJD-HLTSFMKQSA-N -1 0 244.291 0.574 20 0 BCADRM C[C@H](CC(=O)N[C@H](C)c1nc[nH]n1)NC(=O)[O-] ZINC000824615656 587279238 /nfs/dbraw/zinc/27/92/38/587279238.db2.gz VOJAVRGKXOCHHN-PHDIDXHHSA-N -1 0 241.251 0.028 20 0 BCADRM C[C@@H](CC(=O)N[C@@H](C)c1nc[nH]n1)NC(=O)[O-] ZINC000824615659 587279265 /nfs/dbraw/zinc/27/92/65/587279265.db2.gz VOJAVRGKXOCHHN-WDSKDSINSA-N -1 0 241.251 0.028 20 0 BCADRM CC(C)[C@H](CCO)NC(=O)C[C@H](C)NC(=O)[O-] ZINC000824614470 587279465 /nfs/dbraw/zinc/27/94/65/587279465.db2.gz JORFHZUSTWYCRB-IUCAKERBSA-N 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ZINC000825030471 587299706 /nfs/dbraw/zinc/29/97/06/587299706.db2.gz LFHNTYMGVZTQQB-QMMMGPOBSA-N -1 0 237.259 0.396 20 0 BCADRM C[C@H](Cc1nc(-c2cnccn2)no1)NC(=O)[O-] ZINC000825037199 587299867 /nfs/dbraw/zinc/29/98/67/587299867.db2.gz XYCFPFAFUDEBIU-ZCFIWIBFSA-N -1 0 249.230 0.725 20 0 BCADRM C[C@H](Cn1cccn1)OC(=O)[C@H](C)NC(=O)[O-] ZINC000825057569 587301218 /nfs/dbraw/zinc/30/12/18/587301218.db2.gz WEXXRQUNRXRABV-SFYZADRCSA-N -1 0 241.247 0.471 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](C)[C@H]1C ZINC000825171502 587307331 /nfs/dbraw/zinc/30/73/31/587307331.db2.gz LKJBQDVHYFAOTF-GJMOJQLCSA-N -1 0 214.265 0.899 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)N(C)C[C@@H]1CCOC1 ZINC000825171270 587307436 /nfs/dbraw/zinc/30/74/36/587307436.db2.gz IQLVZEGOQORNKM-YUMQZZPRSA-N -1 0 230.264 0.137 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)N(C)CCOCC1CC1 ZINC000825172721 587307663 /nfs/dbraw/zinc/30/76/63/587307663.db2.gz WUMZJTOTMSWIRJ-MRVPVSSYSA-N -1 0 244.291 0.528 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)N[C@@H](C)C1CCOCC1 ZINC000825177227 587307760 /nfs/dbraw/zinc/30/77/60/587307760.db2.gz IRAWQPKDCYGMRJ-YUMQZZPRSA-N -1 0 244.291 0.574 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)C1CCOCC1 ZINC000825177225 587307934 /nfs/dbraw/zinc/30/79/34/587307934.db2.gz IRAWQPKDCYGMRJ-JGVFFNPUSA-N -1 0 244.291 0.574 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)NCC(C)(C)CCO ZINC000825177666 587308169 /nfs/dbraw/zinc/30/81/69/587308169.db2.gz MWCYVFLXFAEYRO-ZETCQYMHSA-N -1 0 232.280 0.167 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)NCCc1ccncc1 ZINC000825185608 587308181 /nfs/dbraw/zinc/30/81/81/587308181.db2.gz HFVXEMDMISZYAB-MRVPVSSYSA-N -1 0 237.259 0.396 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)NCCC1CC1 ZINC000825186242 587308786 /nfs/dbraw/zinc/30/87/86/587308786.db2.gz NHJALZNQACPVPS-LURJTMIESA-N -1 0 200.238 0.559 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)NCCOC1CCC1 ZINC000825185451 587308806 /nfs/dbraw/zinc/30/88/06/587308806.db2.gz DRFDSFHYNWBEGR-SSDOTTSWSA-N -1 0 230.264 0.328 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)OCCc1ccnn1C ZINC000825192967 587309147 /nfs/dbraw/zinc/30/91/47/587309147.db2.gz FVLFCDIQTCODHG-SSDOTTSWSA-N -1 0 241.247 0.162 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)OC[C@@]1(C)CCCO1 ZINC000825192959 587309325 /nfs/dbraw/zinc/30/93/25/587309325.db2.gz FUKPRPFVKLOOSB-GMSGAONNSA-N -1 0 231.248 0.755 20 0 BCADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CCCF)CCO1 ZINC000825349722 587316518 /nfs/dbraw/zinc/31/65/18/587316518.db2.gz DYWHVDXRUWTECX-RKDXNWHRSA-N -1 0 234.271 0.703 20 0 BCADRM C[C@H](NC(=O)[O-])[C@H]1CN(CCF)CCO1 ZINC000825349927 587316642 /nfs/dbraw/zinc/31/66/42/587316642.db2.gz FWXAQMKSWPXCNR-JGVFFNPUSA-N -1 0 220.244 0.313 20 0 BCADRM C[C@@H](NC(=O)[O-])c1ccc(OCC(N)=O)cc1 ZINC000825453628 587320009 /nfs/dbraw/zinc/32/00/09/587320009.db2.gz LFLXTYBHWYMASY-SSDOTTSWSA-N -1 0 238.243 0.879 20 0 BCADRM C[C@H](O)CN(C)C(=O)C1(NC(=O)[O-])CCCC1 ZINC000825522378 587321664 /nfs/dbraw/zinc/32/16/64/587321664.db2.gz WGNBWKBLHLDGQA-QMMMGPOBSA-N -1 0 244.291 0.406 20 0 BCADRM C[C@@H](O)CCNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000825520625 587322593 /nfs/dbraw/zinc/32/25/93/587322593.db2.gz CDZJQBKIKPPZRF-LDYMZIIASA-N -1 0 244.291 0.264 20 0 BCADRM C[C@H](O)CN(C)C(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000825520553 587322701 /nfs/dbraw/zinc/32/27/01/587322701.db2.gz BDIIGBZMDKTMRU-YIZRAAEISA-N -1 0 244.291 0.262 20 0 BCADRM C[C@@H](O)CN(C)C(=O)C1(NC(=O)[O-])CCCC1 ZINC000825522377 587322936 /nfs/dbraw/zinc/32/29/36/587322936.db2.gz WGNBWKBLHLDGQA-MRVPVSSYSA-N -1 0 244.291 0.406 20 0 BCADRM C[C@@H](O)CCNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000825521098 587323139 /nfs/dbraw/zinc/32/31/39/587323139.db2.gz KWNABDKPSANVQX-BDAKNGLRSA-N -1 0 244.291 0.406 20 0 BCADRM C[C@@H](O)CCN(C)C(=O)C1(NC(=O)[O-])CC1 ZINC000825523086 587323164 /nfs/dbraw/zinc/32/31/64/587323164.db2.gz ZQPZJTQNACWTRL-SSDOTTSWSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@@H](O)CCN(C)C(=O)C(C)(C)NC(=O)[O-] ZINC000825521375 587323167 /nfs/dbraw/zinc/32/31/67/587323167.db2.gz OQCBEANWFGVRCT-SSDOTTSWSA-N -1 0 232.280 0.262 20 0 BCADRM CC(C)[C@H](NC(=O)[O-])C(=O)N(C)C[C@@H](C)O ZINC000825521080 587323238 /nfs/dbraw/zinc/32/32/38/587323238.db2.gz KOUDUCNETACJQP-SFYZADRCSA-N -1 0 232.280 0.118 20 0 BCADRM C[C@H](O)CNC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000825528428 587323327 /nfs/dbraw/zinc/32/33/27/587323327.db2.gz NEDMQHQAYUKDCB-QMMMGPOBSA-N -1 0 244.291 0.311 20 0 BCADRM C[C@@H](O)CNC(=O)CCC(C)(C)NC(=O)[O-] ZINC000825527216 587323368 /nfs/dbraw/zinc/32/33/68/587323368.db2.gz BOQKPTZPUILRAI-SSDOTTSWSA-N -1 0 232.280 0.310 20 0 BCADRM C[C@@H](O)CNC(=O)C1(NC(=O)[O-])CCCC1 ZINC000825528525 587323519 /nfs/dbraw/zinc/32/35/19/587323519.db2.gz OUJCHOQVLUHMAQ-SSDOTTSWSA-N -1 0 230.264 0.064 20 0 BCADRM CN(C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1nnn[n-]1 ZINC000825531558 587323878 /nfs/dbraw/zinc/32/38/78/587323878.db2.gz LREDZUMFTRYYHC-AYMMMOKOSA-N -1 0 235.291 0.989 20 0 BCADRM C[C@H](OC(=O)C1(NC(=O)[O-])CC1)[C@@H]1CCOC1 ZINC000825544779 587324578 /nfs/dbraw/zinc/32/45/78/587324578.db2.gz OSQMFMGTYYGGIK-JGVFFNPUSA-N 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0.444 20 0 BCADRM C/C(=C/CN1CCN(CC(F)F)CC1)C(=O)[O-] ZINC000825740890 587335895 /nfs/dbraw/zinc/33/58/95/587335895.db2.gz DHLCAMKLKLCHGN-MBXJOHMKSA-N -1 0 248.273 0.900 20 0 BCADRM CCO[C@@H](C(=O)OCc1n[nH]c(=O)[n-]1)C(C)C ZINC000860368871 589096486 /nfs/dbraw/zinc/09/64/86/589096486.db2.gz LKDAJUKWIAMMFD-MRVPVSSYSA-N -1 0 243.263 0.615 20 0 BCADRM CC1(CNC(=O)COCCNC(=O)[O-])CC1 ZINC000825748657 587337035 /nfs/dbraw/zinc/33/70/35/587337035.db2.gz BDBDVGQHJLPWTQ-UHFFFAOYSA-N -1 0 230.264 0.187 20 0 BCADRM C/C(=C\COC(=O)[C@@H]1CCC[C@@H]1O)C(=O)[O-] ZINC000825751705 587337047 /nfs/dbraw/zinc/33/70/47/587337047.db2.gz BSEVXMXRRNPQFD-FQDVODHFSA-N -1 0 228.244 0.722 20 0 BCADRM C[C@]1(CNC(=O)CCCNC(=O)[O-])CCCO1 ZINC000825748865 587337187 /nfs/dbraw/zinc/33/71/87/587337187.db2.gz FFJWHLATXXZSPY-LLVKDONJSA-N -1 0 244.291 0.720 20 0 BCADRM C/C(=C/COC(=O)[C@H]1CCCO1)C(=O)[O-] ZINC000825754436 587337513 /nfs/dbraw/zinc/33/75/13/587337513.db2.gz ZDOLSCJLEYZATG-RBMBQVQZSA-N -1 0 214.217 0.740 20 0 BCADRM C/C(=C/COC(=O)C[C@@H]1COC(=O)C1)C(=O)[O-] ZINC000825758050 587337571 /nfs/dbraw/zinc/33/75/71/587337571.db2.gz BXUKCRGQZCUURB-CDETVPHDSA-N -1 0 242.227 0.514 20 0 BCADRM C[C@]1(O)CCN(C(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000825760020 587337893 /nfs/dbraw/zinc/33/78/93/587337893.db2.gz HNLILNVCIJJHPC-KCJUWKMLSA-N -1 0 242.275 0.112 20 0 BCADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1CCNC(=O)[O-] ZINC000825778717 587338139 /nfs/dbraw/zinc/33/81/39/587338139.db2.gz RXLBBLLACWOQAP-KUTMEBCESA-N -1 0 234.321 0.095 20 0 BCADRM CC1(OC(=O)c2cocn2)CN(C(=O)[O-])C1 ZINC000825765954 587338187 /nfs/dbraw/zinc/33/81/87/587338187.db2.gz CFGBWSHOTPCDSO-UHFFFAOYSA-N -1 0 226.188 0.584 20 0 BCADRM C/C(=C/COC(=O)CNC(=O)C1CC1)C(=O)[O-] ZINC000825764872 587338477 /nfs/dbraw/zinc/33/84/77/587338477.db2.gz JVMNURQEVJZIJL-DAXSKMNVSA-N -1 0 241.243 0.087 20 0 BCADRM CC1CC(C(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000825783613 587338667 /nfs/dbraw/zinc/33/86/67/587338667.db2.gz KWHYAWCGRFITNK-UHFFFAOYSA-N -1 0 212.249 0.511 20 0 BCADRM CC1CC(C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000825783325 587338774 /nfs/dbraw/zinc/33/87/74/587338774.db2.gz GIPQPPYTPYKERL-UHFFFAOYSA-N -1 0 226.276 0.855 20 0 BCADRM CC1CC(NC(=O)C2(NC(=O)[O-])CC2)C1 ZINC000825788492 587339070 /nfs/dbraw/zinc/33/90/70/587339070.db2.gz HXTFBMRKQNCTLP-UHFFFAOYSA-N -1 0 212.249 0.701 20 0 BCADRM C/C(=C\COC(=O)c1nnn(C)c1C)C(=O)[O-] ZINC000825786482 587339148 /nfs/dbraw/zinc/33/91/48/587339148.db2.gz KFVWNYRRIKCASV-GQCTYLIASA-N -1 0 239.231 0.311 20 0 BCADRM C/C(=C\COC(=O)c1cnccn1)C(=O)[O-] ZINC000825787216 587339155 /nfs/dbraw/zinc/33/91/55/587339155.db2.gz YPQJZLTWPVDQJB-FARCUNLSSA-N -1 0 222.200 0.664 20 0 BCADRM CC1CC(NC(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000825790173 587339239 /nfs/dbraw/zinc/33/92/39/587339239.db2.gz UBCAVUAOZRJPRL-RRQHEKLDSA-N -1 0 244.316 0.954 20 0 BCADRM CC1CC(NC(=O)CC2CN(C(=O)[O-])C2)C1 ZINC000825790526 587339360 /nfs/dbraw/zinc/33/93/60/587339360.db2.gz WADSNZWIYIDCHX-UHFFFAOYSA-N -1 0 226.276 0.901 20 0 BCADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC1CC1 ZINC000825816654 587340146 /nfs/dbraw/zinc/34/01/46/587340146.db2.gz LEBFUAJQHXGVTF-APPZFPTMSA-N -1 0 241.291 0.979 20 0 BCADRM CC(=O)CCCCOC(=O)CCNC(=O)[O-] ZINC000825813862 587340187 /nfs/dbraw/zinc/34/01/87/587340187.db2.gz SOXOLDGBVZWDOE-UHFFFAOYSA-N -1 0 231.248 0.947 20 0 BCADRM C[C@@H]1CC[C@H](C)N(C(=O)CNC(=O)[O-])C1 ZINC000825865519 587340896 /nfs/dbraw/zinc/34/08/96/587340896.db2.gz JFTJTHXUPJGBHU-SFYZADRCSA-N -1 0 214.265 0.901 20 0 BCADRM C[C@H]1C[C@@H]1C(=O)OC1(C)CN(C(=O)[O-])C1 ZINC000825851469 587340962 /nfs/dbraw/zinc/34/09/62/587340962.db2.gz HVLIQRPEGCXERI-BQBZGAKWSA-N -1 0 213.233 0.938 20 0 BCADRM C[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000825850482 587341123 /nfs/dbraw/zinc/34/11/23/587341123.db2.gz COVAVNMAOKCPLY-IWSPIJDZSA-N -1 0 226.276 0.853 20 0 BCADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(N)=O ZINC000825846198 587341224 /nfs/dbraw/zinc/34/12/24/587341224.db2.gz TWAUQVMUVSNGEU-RITPCOANSA-N -1 0 201.226 0.186 20 0 BCADRM C[C@@H]1C[C@@H]1NC(=O)C(C)(C)CNC(=O)[O-] ZINC000825858316 587341956 /nfs/dbraw/zinc/34/19/56/587341956.db2.gz AGAHAFXFLXECDD-RQJHMYQMSA-N -1 0 214.265 0.805 20 0 BCADRM C[C@@H]1C[C@@H]1C(=O)NCC(C)(C)NC(=O)[O-] ZINC000825852572 587341982 /nfs/dbraw/zinc/34/19/82/587341982.db2.gz OSGPBVGOTGOKHI-RQJHMYQMSA-N -1 0 214.265 0.805 20 0 BCADRM C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000825859805 587342188 /nfs/dbraw/zinc/34/21/88/587342188.db2.gz GMEFMRRUZYVVHG-HLTSFMKQSA-N -1 0 241.291 0.836 20 0 BCADRM C[C@H]1C[C@H]1CNC(=O)COC1CN(C(=O)[O-])C1 ZINC000825861018 587342321 /nfs/dbraw/zinc/34/23/21/587342321.db2.gz NFYKDIPHOHVJTA-YUMQZZPRSA-N -1 0 242.275 0.137 20 0 BCADRM C[C@H]1C[C@H]1CNC(=O)NC1CN(C(=O)[O-])C1 ZINC000825860701 587342367 /nfs/dbraw/zinc/34/23/67/587342367.db2.gz LIRGYPFYPGEPPZ-BQBZGAKWSA-N -1 0 227.264 0.304 20 0 BCADRM C[C@@H]1CC[C@H](C(=O)O[C@H]2CCN(C(=O)[O-])C2)O1 ZINC000825866269 587342482 /nfs/dbraw/zinc/34/24/82/587342482.db2.gz OYVMIMSNEUEGFJ-HRDYMLBCSA-N 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ZINC000826743609 587360935 /nfs/dbraw/zinc/36/09/35/587360935.db2.gz KRSRECBDLRQCJQ-KCJUWKMLSA-N -1 0 244.291 0.406 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NC[C@H](O)C1CC1 ZINC000826750090 587361062 /nfs/dbraw/zinc/36/10/62/587361062.db2.gz GKKRMLFKONDMDR-IUCAKERBSA-N -1 0 244.291 0.310 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NCC(F)F ZINC000826749966 587361171 /nfs/dbraw/zinc/36/11/71/587361171.db2.gz DLAQNPRCGXRZGG-RXMQYKEDSA-N -1 0 224.207 0.804 20 0 BCADRM CCC[C@H](O)CNC(=O)C1(NC(=O)[O-])CC1 ZINC000826764542 587361518 /nfs/dbraw/zinc/36/15/18/587361518.db2.gz JLBBEHGWCUDLSY-ZETCQYMHSA-N -1 0 230.264 0.064 20 0 BCADRM CCC[C@@H](O)CNC(=O)CCCNC(=O)[O-] ZINC000826765595 587361540 /nfs/dbraw/zinc/36/15/40/587361540.db2.gz SARVRSGIBHMXPJ-MRVPVSSYSA-N -1 0 232.280 0.311 20 0 BCADRM CCCC1(CNC(=O)CNC(=O)[O-])CC1 ZINC000826768314 587361563 /nfs/dbraw/zinc/36/15/63/587361563.db2.gz GFGFARJLPKZTEZ-UHFFFAOYSA-N -1 0 214.265 0.951 20 0 BCADRM CCC[C@H](O)CNC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000826765114 587361568 /nfs/dbraw/zinc/36/15/68/587361568.db2.gz NLZUGAYLCBETHC-IUCAKERBSA-N -1 0 244.291 0.406 20 0 BCADRM CCC[C@@H](O)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000826765188 587361632 /nfs/dbraw/zinc/36/16/32/587361632.db2.gz OARBZNDCXBKPEM-SSDOTTSWSA-N -1 0 232.280 0.310 20 0 BCADRM CCC[C@@H]1C[C@H]1NC(=O)CNC(=O)[O-] ZINC000826774922 587361796 /nfs/dbraw/zinc/36/17/96/587361796.db2.gz LNPGNFTVCHCCTD-RNFRBKRXSA-N -1 0 200.238 0.559 20 0 BCADRM CCC[C@H]1C[C@@H]1NC(=O)NCCNC(=O)[O-] ZINC000826773878 587361922 /nfs/dbraw/zinc/36/19/22/587361922.db2.gz AUZLVKIMMOKSHP-YUMQZZPRSA-N -1 0 229.280 0.742 20 0 BCADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)[C@H](C)OC ZINC000826781992 587362135 /nfs/dbraw/zinc/36/21/35/587362135.db2.gz TWLKZVZOCDYOIA-IUCAKERBSA-N -1 0 246.307 0.964 20 0 BCADRM CCC[C@H]1C[C@@H]1NC(=O)CN(C)C(=O)[O-] ZINC000826775056 587362246 /nfs/dbraw/zinc/36/22/46/587362246.db2.gz NVXXQZFAOYOCOQ-YUMQZZPRSA-N -1 0 214.265 0.901 20 0 BCADRM CCCC[C@H](CNC(=O)[O-])NC(N)=O ZINC000826806531 587362989 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602951489 /nfs/dbraw/zinc/95/14/89/602951489.db2.gz YRJFARPNMGHIHZ-YIZRAAEISA-N -1 0 244.291 0.574 20 0 BCADRM CNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000739749510 602955646 /nfs/dbraw/zinc/95/56/46/602955646.db2.gz PFHONPJEZCFHAT-SSDOTTSWSA-N -1 0 215.253 0.448 20 0 BCADRM NC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000740330676 602956392 /nfs/dbraw/zinc/95/63/92/602956392.db2.gz AJEMDNZNUMPMLX-ZCFIWIBFSA-N -1 0 201.226 0.187 20 0 BCADRM C[C@H](O)CCNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000825521640 602963222 /nfs/dbraw/zinc/96/32/22/602963222.db2.gz ROFXKCXUHHGHFD-QMMMGPOBSA-N -1 0 244.291 0.264 20 0 BCADRM COC(C)(C)C[C@H](C)NC(=O)[C@H](C)NC(=O)[O-] ZINC000739792115 602969945 /nfs/dbraw/zinc/96/99/45/602969945.db2.gz LQKQLQPMDJGYGX-YUMQZZPRSA-N -1 0 246.307 0.962 20 0 BCADRM CCOCCCOC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739493847 602970045 /nfs/dbraw/zinc/97/00/45/602970045.db2.gz VFUQPHJQIUZPIP-SECBINFHSA-N -1 0 245.275 0.956 20 0 BCADRM COCc1noc([C@H]2CCN(C(=O)[O-])C2)n1 ZINC000739848410 602972886 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/nfs/dbraw/zinc/12/44/02/639124402.db2.gz LRBXEMMLHDAFCY-SSDOTTSWSA-N -1 0 249.332 0.470 20 0 BCADRM Cc1cc[nH]c1C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000909042405 639125215 /nfs/dbraw/zinc/12/52/15/639125215.db2.gz TZHXJCDZZMIIHC-VIFPVBQESA-N -1 0 222.244 0.916 20 0 BCADRM CC(C)(CC(=O)[O-])NC(=O)C1CC(=O)C1 ZINC000909014930 639125271 /nfs/dbraw/zinc/12/52/71/639125271.db2.gz MBIPNWRGNKULRL-UHFFFAOYSA-N -1 0 213.233 0.335 20 0 BCADRM CC(C)[C@H](O)C(=O)NC(C)(C)CC(=O)[O-] ZINC000909021092 639126251 /nfs/dbraw/zinc/12/62/51/639126251.db2.gz QGPXBCFTSMCYQS-QMMMGPOBSA-N -1 0 217.265 0.373 20 0 BCADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])C1CC1)c1cncnc1 ZINC000909043881 639126345 /nfs/dbraw/zinc/12/63/45/639126345.db2.gz XVXNTTIWMAMQIV-GMSGAONNSA-N -1 0 249.270 0.560 20 0 BCADRM COC[C@H](C)[C@H](C)C(=O)N[C@H](C)CC(=O)[O-] ZINC000909091171 639139064 /nfs/dbraw/zinc/13/90/64/639139064.db2.gz JVKVORPJOTXOTJ-YIZRAAEISA-N -1 0 231.292 0.884 20 0 BCADRM CC[C@H](CO)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000909053491 639131949 /nfs/dbraw/zinc/13/19/49/639131949.db2.gz IFWQTUAXLBQCCV-LDYMZIIASA-N -1 0 231.292 0.765 20 0 BCADRM C/C=C(\CC)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000909058782 639134488 /nfs/dbraw/zinc/13/44/88/639134488.db2.gz PPVNQIQUACYRIL-IPQKIJNHSA-N -1 0 227.260 0.655 20 0 BCADRM C[C@@H](O)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000909059722 639135122 /nfs/dbraw/zinc/13/51/22/639135122.db2.gz OQMQVFITOZIHBI-MRVPVSSYSA-N -1 0 229.276 0.661 20 0 BCADRM CC[C@@H](O)[C@H](C)C(=O)NC1(CC(=O)[O-])CCC1 ZINC000909066422 639135948 /nfs/dbraw/zinc/13/59/48/639135948.db2.gz HJOJMDVSPDGCTJ-DTWKUNHWSA-N -1 0 243.303 0.907 20 0 BCADRM CC[C@@H](O)[C@@H](C)C(=O)NC1(CC(=O)[O-])CCC1 ZINC000909066426 639136150 /nfs/dbraw/zinc/13/61/50/639136150.db2.gz HJOJMDVSPDGCTJ-RKDXNWHRSA-N -1 0 243.303 0.907 20 0 BCADRM C[C@@H](O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000909062930 639136174 /nfs/dbraw/zinc/13/61/74/639136174.db2.gz NWKXQKPQYDLGJC-SSDOTTSWSA-N -1 0 223.228 0.633 20 0 BCADRM CSC[C@@H](NC(=O)NCC1(C)CC1)C(=O)[O-] ZINC000909062342 639136259 /nfs/dbraw/zinc/13/62/59/639136259.db2.gz CYHOKLSLWOVFEH-SSDOTTSWSA-N -1 0 246.332 0.902 20 0 BCADRM C[C@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000909091307 639139269 /nfs/dbraw/zinc/13/92/69/639139269.db2.gz MVLZWGXXRMXLRC-VHSKPIJISA-N -1 0 227.260 0.392 20 0 BCADRM Cn1cnc(C(=O)NCCCCCC(=O)[O-])n1 ZINC000909089425 639139544 /nfs/dbraw/zinc/13/95/44/639139544.db2.gz PCJNDLCOKQDCFX-UHFFFAOYSA-N -1 0 240.263 0.190 20 0 BCADRM C[C@H](CC(=O)[O-])NC(=O)[C@@H](O)c1cccnc1 ZINC000909094457 639140133 /nfs/dbraw/zinc/14/01/33/639140133.db2.gz VRQSBSJTTHCPMP-XCBNKYQSSA-N -1 0 238.243 0.094 20 0 BCADRM CCC(CC)(CO)C(=O)N[C@H](C)CC(=O)[O-] ZINC000909094941 639141661 /nfs/dbraw/zinc/14/16/61/639141661.db2.gz HMCMXYXPZGSVKS-MRVPVSSYSA-N -1 0 231.292 0.765 20 0 BCADRM C[C@H](CC(=O)[O-])NC(=O)CCc1cncn1C ZINC000909094631 639142504 /nfs/dbraw/zinc/14/25/04/639142504.db2.gz BBQSHYGEBCCQLS-MRVPVSSYSA-N -1 0 239.275 0.332 20 0 BCADRM O=C([O-])C[C@@H](NC(=O)C1=CCOCC1)C1CC1 ZINC000909074775 639142911 /nfs/dbraw/zinc/14/29/11/639142911.db2.gz IZSYUBYUVQBLOJ-SNVBAGLBSA-N -1 0 239.271 0.703 20 0 BCADRM Cc1nc[nH]c1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000909075265 639143526 /nfs/dbraw/zinc/14/35/26/639143526.db2.gz LUMAWEYFIYPYPD-MRVPVSSYSA-N -1 0 237.259 0.701 20 0 BCADRM Cc1ccnc(C(=O)N[C@H](CC(=O)[O-])C2CC2)n1 ZINC000909080010 639144830 /nfs/dbraw/zinc/14/48/30/639144830.db2.gz PRAFMDWQCOBJLK-SECBINFHSA-N -1 0 249.270 0.768 20 0 BCADRM CC(C)(O)CCC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000909080378 639145146 /nfs/dbraw/zinc/14/51/46/639145146.db2.gz UBXXVASPXKHBIY-VIFPVBQESA-N -1 0 243.303 0.907 20 0 BCADRM CC[C@@H](NC(=O)c1csc(=O)[nH]1)C(=O)[O-] ZINC000909120879 639149556 /nfs/dbraw/zinc/14/95/56/639149556.db2.gz HIJWKOXDFYKVEZ-SCSAIBSYSA-N -1 0 230.245 0.442 20 0 BCADRM CC[C@H](NC(=O)CCc1cn[nH]c1)C(=O)[O-] ZINC000909119325 639149750 /nfs/dbraw/zinc/14/97/50/639149750.db2.gz FMMZSAAVCUCSER-QMMMGPOBSA-N -1 0 225.248 0.322 20 0 BCADRM CC[C@H](NC(=O)C1(COC)CC1)C(=O)[O-] ZINC000909120968 639149851 /nfs/dbraw/zinc/14/98/51/639149851.db2.gz JBGYXAREZKMQGR-ZETCQYMHSA-N -1 0 215.249 0.392 20 0 BCADRM CC[C@H](NC(=O)[C@@H](O)C1CCC1)C(=O)[O-] ZINC000909120806 639149923 /nfs/dbraw/zinc/14/99/23/639149923.db2.gz DUKVFJVULYVGKH-YUMQZZPRSA-N -1 0 215.249 0.127 20 0 BCADRM CC[C@H](NC(=O)/C=C/[C@H]1CCOC1)C(=O)[O-] ZINC000909120823 639150001 /nfs/dbraw/zinc/15/00/01/639150001.db2.gz FOWWSIZVTNUEKV-FBFNWGNUSA-N -1 0 227.260 0.559 20 0 BCADRM CC[C@@H](NC(=O)CCC(C)(C)O)C(=O)[O-] ZINC000909120558 639150068 /nfs/dbraw/zinc/15/00/68/639150068.db2.gz XUXIRPXNHGDASS-SSDOTTSWSA-N -1 0 217.265 0.517 20 0 BCADRM CC[C@@H](NC(=O)Cn1cc(Cl)cn1)C(=O)[O-] ZINC000909122507 639150958 /nfs/dbraw/zinc/15/09/58/639150958.db2.gz YPXYFOASCROFTO-SSDOTTSWSA-N -1 0 245.666 0.516 20 0 BCADRM CC[C@@H](NC(=O)C[C@H](C)n1cccn1)C(=O)[O-] ZINC000909121881 639151012 /nfs/dbraw/zinc/15/10/12/639151012.db2.gz GYKDLTNIXCAKBS-DTWKUNHWSA-N -1 0 239.275 0.814 20 0 BCADRM CC[C@H](NC(=O)C1(O)CCSCC1)C(=O)[O-] ZINC000909122628 639151047 /nfs/dbraw/zinc/15/10/47/639151047.db2.gz CTNPMYBVBZJJEZ-ZETCQYMHSA-N -1 0 247.316 0.224 20 0 BCADRM CC[C@@H](NC(=O)Cc1ccoc1)C(=O)[O-] ZINC000909121438 639151056 /nfs/dbraw/zinc/15/10/56/639151056.db2.gz OXLSWSREOVPURE-MRVPVSSYSA-N -1 0 211.217 0.802 20 0 BCADRM CC[C@@H](O)[C@H](C)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000909123479 639151247 /nfs/dbraw/zinc/15/12/47/639151247.db2.gz UCPVDHLCRVGWKI-BIIVOSGPSA-N -1 0 217.265 0.373 20 0 BCADRM C[C@H](NC(=O)[C@]12CCO[C@@H]1CCCC2)C(=O)[O-] ZINC000909129590 639152040 /nfs/dbraw/zinc/15/20/40/639152040.db2.gz APUXKLSEJSSDGC-YGOYTEALSA-N -1 0 241.287 0.925 20 0 BCADRM CC[C@@H](NC(=O)COC(F)(F)F)C(=O)[O-] ZINC000909123658 639152655 /nfs/dbraw/zinc/15/26/55/639152655.db2.gz UMYKOJQSGJIFQL-SCSAIBSYSA-N -1 0 229.154 0.502 20 0 BCADRM C[C@@H](NC(=O)c1coc(C2CC2)n1)C(=O)[O-] ZINC000909131071 639153110 /nfs/dbraw/zinc/15/31/10/639153110.db2.gz OPVHMRNULHSXFC-RXMQYKEDSA-N -1 0 224.216 0.755 20 0 BCADRM CO[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000909131253 639153381 /nfs/dbraw/zinc/15/33/81/639153381.db2.gz RFWANMSAUKBGRP-DJLDLDEBSA-N -1 0 229.276 0.781 20 0 BCADRM C[C@@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)C(=O)[O-] ZINC000909130824 639153404 /nfs/dbraw/zinc/15/34/04/639153404.db2.gz NTXSJNRORLKIDG-RNFRBKRXSA-N -1 0 237.259 0.104 20 0 BCADRM COCCC(C)(C)C(=O)N[C@H](C)C(=O)[O-] ZINC000909130089 639153937 /nfs/dbraw/zinc/15/39/37/639153937.db2.gz FLAQBIVCFMCCJU-SSDOTTSWSA-N -1 0 217.265 0.638 20 0 BCADRM CO[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000909130427 639153974 /nfs/dbraw/zinc/15/39/74/639153974.db2.gz JEWKIRMIFTZWGV-JGVFFNPUSA-N -1 0 217.265 0.637 20 0 BCADRM Cc1nc(C(=O)N[C@@H](C)C(=O)[O-])c(C)o1 ZINC000909130691 639153978 /nfs/dbraw/zinc/15/39/78/639153978.db2.gz SRJBIORTNZLYKP-BYPYZUCNSA-N -1 0 212.205 0.494 20 0 BCADRM C[C@H](NC(=O)c1ncccc1N(C)C)C(=O)[O-] ZINC000909131369 639154545 /nfs/dbraw/zinc/15/45/45/639154545.db2.gz IBYLPMWHMWPLEZ-ZETCQYMHSA-N -1 0 237.259 0.351 20 0 BCADRM COC[C@H](C)[C@@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000909132399 639154609 /nfs/dbraw/zinc/15/46/09/639154609.db2.gz REKNUZWLSWJEKG-XLPZGREQSA-N -1 0 217.265 0.494 20 0 BCADRM C[C@@H](NC(=O)CCC(C)(C)O)C(=O)[O-] ZINC000909132810 639154691 /nfs/dbraw/zinc/15/46/91/639154691.db2.gz YRBPGPFTZQDPQE-ZCFIWIBFSA-N -1 0 203.238 0.127 20 0 BCADRM CCc1[nH]ccc1C(=O)N[C@H](C)C(=O)[O-] ZINC000909131633 639154807 /nfs/dbraw/zinc/15/48/07/639154807.db2.gz ITCFHEOBRVOLIL-ZCFIWIBFSA-N -1 0 210.233 0.780 20 0 BCADRM C[C@@H](Oc1ccccn1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000909131828 639154828 /nfs/dbraw/zinc/15/48/28/639154828.db2.gz XIZLVABMTCECJM-JGVFFNPUSA-N -1 0 238.243 0.438 20 0 BCADRM C[C@@H](NC(=O)c1ncccc1N(C)C)C(=O)[O-] ZINC000909131368 639154903 /nfs/dbraw/zinc/15/49/03/639154903.db2.gz IBYLPMWHMWPLEZ-SSDOTTSWSA-N -1 0 237.259 0.351 20 0 BCADRM C[C@@H](NC(=O)NCC(C)(C)C(C)(C)O)C(=O)[O-] ZINC000909150993 639157622 /nfs/dbraw/zinc/15/76/22/639157622.db2.gz VMHXHBPXPRBWTD-SSDOTTSWSA-N -1 0 246.307 0.556 20 0 BCADRM CCC[C@H](OC)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000909150211 639157796 /nfs/dbraw/zinc/15/77/96/639157796.db2.gz TUPDRTBBGQXLFH-IUCAKERBSA-N -1 0 231.292 0.981 20 0 BCADRM Cc1ncc(C(=O)N(C)C[C@@H](C)C(=O)[O-])n1C ZINC000909150053 639157995 /nfs/dbraw/zinc/15/79/95/639157995.db2.gz SUFWLHHISIJTQD-SSDOTTSWSA-N -1 0 239.275 0.521 20 0 BCADRM C[C@H](CN(C)C(=O)[C@@H](O)C1CCC1)C(=O)[O-] ZINC000909146374 639161092 /nfs/dbraw/zinc/16/10/92/639161092.db2.gz AUJSHQORDDIBSF-APPZFPTMSA-N -1 0 229.276 0.327 20 0 BCADRM C[C@H](O)C(=O)NCCCCCCC(=O)[O-] ZINC000909143583 639161220 /nfs/dbraw/zinc/16/12/20/639161220.db2.gz XTPBSTOSZZCDOJ-QMMMGPOBSA-N -1 0 217.265 0.519 20 0 BCADRM Cc1nc(C)c(C(=O)N(C)C[C@@H](C)C(=O)[O-])[nH]1 ZINC000909148109 639162303 /nfs/dbraw/zinc/16/23/03/639162303.db2.gz KJUSXCNAHJFRFD-ZCFIWIBFSA-N -1 0 239.275 0.819 20 0 BCADRM O=C([O-])CCCCNC(=O)/C=C/[C@@H]1CCOC1 ZINC000909185940 639165182 /nfs/dbraw/zinc/16/51/82/639165182.db2.gz HSQYQRICFGWMJM-ORAHPGNNSA-N -1 0 241.287 0.950 20 0 BCADRM CN(CCC(=O)[O-])C(=O)c1cc2n(n1)CCC2 ZINC000909165776 639166930 /nfs/dbraw/zinc/16/69/30/639166930.db2.gz GIFWVMNFQZPMMV-UHFFFAOYSA-N -1 0 237.259 0.376 20 0 BCADRM CO[C@@H](CC(C)C)C(=O)N(C)CCC(=O)[O-] ZINC000909169132 639167788 /nfs/dbraw/zinc/16/77/88/639167788.db2.gz WPSWEMVZSYDTDA-VIFPVBQESA-N -1 0 231.292 0.981 20 0 BCADRM CN(CCC(=O)[O-])C(=O)/C=C\[C@H]1CCOC1 ZINC000909169136 639167855 /nfs/dbraw/zinc/16/78/55/639167855.db2.gz WPXHEZUSKIJCKU-XADBCAIWSA-N -1 0 227.260 0.512 20 0 BCADRM CN(CCC(=O)[O-])C(=O)CCc1cnccn1 ZINC000909167652 639167949 /nfs/dbraw/zinc/16/79/49/639167949.db2.gz NXUGQUJXWFAMRJ-UHFFFAOYSA-N -1 0 237.259 0.342 20 0 BCADRM CCOc1cc(C(=O)N(C)CCC(=O)[O-])on1 ZINC000909168312 639168430 /nfs/dbraw/zinc/16/84/30/639168430.db2.gz QXVDPRLFISKUPL-UHFFFAOYSA-N -1 0 242.231 0.620 20 0 BCADRM O=C([O-])[C@H]1CN(C(=O)Cc2ccoc2)CCO1 ZINC000909217391 639169809 /nfs/dbraw/zinc/16/98/09/639169809.db2.gz OLYAONCWMLHISC-SECBINFHSA-N -1 0 239.227 0.134 20 0 BCADRM C[C@@H](CNC(=O)CCc1cn[nH]c1)C(=O)[O-] ZINC000909201568 639170468 /nfs/dbraw/zinc/17/04/68/639170468.db2.gz FVBRIRZHIAAUMJ-ZETCQYMHSA-N -1 0 225.248 0.179 20 0 BCADRM C[C@H](CNC(=O)[C@@H]1C[C@@]12CCOC2)C(=O)[O-] ZINC000909200965 639171180 /nfs/dbraw/zinc/17/11/80/639171180.db2.gz FPELANAHIVGSRY-VHSKPIJISA-N -1 0 227.260 0.250 20 0 BCADRM C[C@H](CNC(=O)/C=C/[C@H]1CCOC1)C(=O)[O-] ZINC000909201493 639171217 /nfs/dbraw/zinc/17/12/17/639171217.db2.gz DLTLGQVTYSOXDY-ALCGYSGWSA-N -1 0 227.260 0.416 20 0 BCADRM COC[C@H](C)[C@@H](C)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000909202365 639172136 /nfs/dbraw/zinc/17/21/36/639172136.db2.gz MRTSQXVWSQVACO-HRDYMLBCSA-N -1 0 231.292 0.742 20 0 BCADRM C[C@H](CNC(=O)[C@@H]1CCCOCC1)C(=O)[O-] ZINC000909203244 639172282 /nfs/dbraw/zinc/17/22/82/639172282.db2.gz VZMXJBLDRHEEFY-RKDXNWHRSA-N -1 0 229.276 0.640 20 0 BCADRM C[C@H](CNC(=O)c1cccc2nccn21)C(=O)[O-] ZINC000909203276 639172316 /nfs/dbraw/zinc/17/23/16/639172316.db2.gz XDXQTTBAHWVUCV-MRVPVSSYSA-N -1 0 247.254 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CC(C)[C@H](C(=O)[O-])C(=O)NC[C@H](O)C1CC1 ZINC000911336168 639621081 /nfs/dbraw/zinc/62/10/81/639621081.db2.gz AYXVOVPMLKJOPR-IUCAKERBSA-N -1 0 229.276 0.230 20 0 BCADRM CC[C@](C)(O)CNC(=O)C1(C(=O)[O-])CCC1 ZINC000911320531 639621291 /nfs/dbraw/zinc/62/12/91/639621291.db2.gz VUWDSDSWVDVLOW-JTQLQIEISA-N -1 0 229.276 0.519 20 0 BCADRM CC[C@@](C)(O)CNC(=O)C(C)(C)C(=O)[O-] ZINC000911320154 639621854 /nfs/dbraw/zinc/62/18/54/639621854.db2.gz SNJQEQKJEHXOIK-SNVBAGLBSA-N -1 0 217.265 0.374 20 0 BCADRM CC[C@@](C)(O)CNC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000911317414 639622266 /nfs/dbraw/zinc/62/22/66/639622266.db2.gz CTNVJSZPDYUHTQ-GZMMTYOYSA-N -1 0 231.292 0.620 20 0 BCADRM CC(C)(O)CNC(=O)c1ccoc1CC(=O)[O-] ZINC000911335444 639622346 /nfs/dbraw/zinc/62/23/46/639622346.db2.gz RZHOPRWAKMJCBT-UHFFFAOYSA-N -1 0 241.243 0.407 20 0 BCADRM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@H](O)C1CC1 ZINC000911336167 639622362 /nfs/dbraw/zinc/62/23/62/639622362.db2.gz AYXVOVPMLKJOPR-DTWKUNHWSA-N -1 0 229.276 0.230 20 0 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0.374 20 0 BCADRM O=C([O-])C1(C(=O)N[C@H](CCO)C2CC2)CCC1 ZINC000911390004 639626981 /nfs/dbraw/zinc/62/69/81/639626981.db2.gz MTHLGZZKMWYNNU-SECBINFHSA-N -1 0 241.287 0.519 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NCC1(CO)CCC1 ZINC000911371316 639627577 /nfs/dbraw/zinc/62/75/77/639627577.db2.gz KGBYRZOQRCHUPZ-MRVPVSSYSA-N -1 0 229.276 0.376 20 0 BCADRM O=C([O-])C1(C(=O)NCC2(CO)CCC2)CCC1 ZINC000911371742 639627748 /nfs/dbraw/zinc/62/77/48/639627748.db2.gz LULXBFLZACHYAB-UHFFFAOYSA-N -1 0 241.287 0.520 20 0 BCADRM O=C([O-])C12CC(C(=O)NCC3(CO)CC3)(C1)C2 ZINC000911372410 639627771 /nfs/dbraw/zinc/62/77/71/639627771.db2.gz VSSDPHLUPMYVOV-UHFFFAOYSA-N -1 0 239.271 0.130 20 0 BCADRM CN(CCCO)C(=O)CCSCC(=O)[O-] ZINC000911371986 639628194 /nfs/dbraw/zinc/62/81/94/639628194.db2.gz NYATUPCSGOCZMT-UHFFFAOYSA-N -1 0 235.305 0.035 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N1Cc2cncnc2C1 ZINC000911391233 639628220 /nfs/dbraw/zinc/62/82/20/639628220.db2.gz BMXHUBDORSTASY-QMMMGPOBSA-N -1 0 235.243 0.430 20 0 BCADRM 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249.270 0.323 20 0 BCADRM C[C@@H](CCO)NC(=O)c1cncc(C(=O)[O-])c1 ZINC000911416914 639630740 /nfs/dbraw/zinc/63/07/40/639630740.db2.gz WIZMZJWGVXLVJO-ZETCQYMHSA-N -1 0 238.243 0.281 20 0 BCADRM CCOCCN(C)C(=O)[C@@H](C)CC(=O)[O-] ZINC000911416682 639630761 /nfs/dbraw/zinc/63/07/61/639630761.db2.gz QYSZAVVPHNTOGL-QMMMGPOBSA-N -1 0 217.265 0.592 20 0 BCADRM CC[C@H](C)[C@@](C)(O)CNC(=O)C1(C(=O)[O-])CC1 ZINC000911376709 639630893 /nfs/dbraw/zinc/63/08/93/639630893.db2.gz XVFTYGYVQIMPCJ-KWQFWETISA-N -1 0 243.303 0.765 20 0 BCADRM CCC[C@@H](O)CNC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000911375426 639630928 /nfs/dbraw/zinc/63/09/28/639630928.db2.gz CVDSFQBOGXJPTL-HUUUCTMMSA-N -1 0 241.287 0.519 20 0 BCADRM C[C@@](O)(CNC(=O)C1(C(=O)[O-])CC1)C1CC1 ZINC000911375652 639631196 /nfs/dbraw/zinc/63/11/96/639631196.db2.gz HWANBBJUWQKOIL-SNVBAGLBSA-N -1 0 227.260 0.128 20 0 BCADRM C[C@H](O)CCCNC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000911394279 639632197 /nfs/dbraw/zinc/63/21/97/639632197.db2.gz 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CC[C@H](CCO)NC(=O)[C@@H](CC)C(=O)[O-] ZINC000911401010 639636126 /nfs/dbraw/zinc/63/61/26/639636126.db2.gz AHBPVMCLOMQWIG-HTQZYQBOSA-N -1 0 217.265 0.374 20 0 BCADRM CC[C@H](CCO)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC000911401342 639636330 /nfs/dbraw/zinc/63/63/30/639636330.db2.gz GOEPKCLVBZKYHC-RKDXNWHRSA-N -1 0 231.292 0.620 20 0 BCADRM CC[C@@H](O)CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911400935 639636417 /nfs/dbraw/zinc/63/64/17/639636417.db2.gz JZSJYQVZBLSAIL-IVZWLZJFSA-N -1 0 243.303 0.765 20 0 BCADRM C[C@@H](O)C[C@H](C)NC(=O)C(C)(C)C(=O)[O-] ZINC000911400845 639636430 /nfs/dbraw/zinc/63/64/30/639636430.db2.gz ICZSYHYJKWBGQA-NKWVEPMBSA-N -1 0 217.265 0.373 20 0 BCADRM C[C@H](C[C@H](C)O)NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000911401491 639636515 /nfs/dbraw/zinc/63/65/15/639636515.db2.gz RDHKGDGHBZZZEE-GTTGXYMLSA-N -1 0 241.287 0.517 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](C)CCCO ZINC000911399350 639637342 /nfs/dbraw/zinc/63/73/42/639637342.db2.gz QLKXCOJEIMFVKL-YUMQZZPRSA-N -1 0 217.265 0.374 20 0 BCADRM C[C@H](CCO)CNC(=O)C(C)(C)C(=O)[O-] ZINC000911401378 639637365 /nfs/dbraw/zinc/63/73/65/639637365.db2.gz HZAXQLIRUMVDFK-SSDOTTSWSA-N -1 0 217.265 0.232 20 0 BCADRM C[C@@H](O)C[C@@H](C)NC(=O)C1(C(=O)[O-])CCCC1 ZINC000911401879 639639077 /nfs/dbraw/zinc/63/90/77/639639077.db2.gz VOCILMZQLOLWKD-RKDXNWHRSA-N -1 0 243.303 0.907 20 0 BCADRM CC(C)[C@H](O)CNC(=O)C1(C(=O)[O-])CCC1 ZINC000911405071 639639183 /nfs/dbraw/zinc/63/91/83/639639183.db2.gz QDQMVOPVLQAVSH-MRVPVSSYSA-N -1 0 229.276 0.374 20 0 BCADRM C[C@H](CCO)CNC(=O)C1(C(=O)[O-])CCCC1 ZINC000911401971 639639407 /nfs/dbraw/zinc/63/94/07/639639407.db2.gz SBBYGHMXBRAXCX-SECBINFHSA-N -1 0 243.303 0.766 20 0 BCADRM CC(C)(C(=O)[O-])C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000911401923 639639683 /nfs/dbraw/zinc/63/96/83/639639683.db2.gz OYRRTSSKHPSLNB-JGVFFNPUSA-N -1 0 227.260 0.150 20 0 BCADRM C[C@H](O)C[C@H](C)NC(=O)C1(C(=O)[O-])CCCC1 ZINC000911401878 639639945 /nfs/dbraw/zinc/63/99/45/639639945.db2.gz 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ZINC000911669912 639696464 /nfs/dbraw/zinc/69/64/64/639696464.db2.gz QINPOBMXWJFNEL-BDAKNGLRSA-N -1 0 241.287 0.471 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)NCc1cn(C)nc1C ZINC000911667285 639697252 /nfs/dbraw/zinc/69/72/52/639697252.db2.gz HDMKTFHWHCNWJB-SECBINFHSA-N -1 0 239.275 0.456 20 0 BCADRM C[C@@H](O)C(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC000911657825 639714951 /nfs/dbraw/zinc/71/49/51/639714951.db2.gz AMKYHCWWSMKLJI-APPZFPTMSA-N -1 0 238.243 0.094 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000911678202 639719267 /nfs/dbraw/zinc/71/92/67/639719267.db2.gz LUUWECXKBLBGPH-FXQIFTODSA-N -1 0 229.276 0.373 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000911678996 639719482 /nfs/dbraw/zinc/71/94/82/639719482.db2.gz OVOOIMJOSGWISF-GJMOJQLCSA-N -1 0 229.276 0.373 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000911679413 639719874 /nfs/dbraw/zinc/71/98/74/639719874.db2.gz OVOOIMJOSGWISF-PRJMDXOYSA-N -1 0 229.276 0.373 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000911678201 639720075 /nfs/dbraw/zinc/72/00/75/639720075.db2.gz LUUWECXKBLBGPH-BIIVOSGPSA-N -1 0 229.276 0.373 20 0 BCADRM CC1(C)[C@H](O)C[C@@H]1NC(=O)C1(C(=O)[O-])CCC1 ZINC000911680109 639720147 /nfs/dbraw/zinc/72/01/47/639720147.db2.gz WMHKDIZLPCSEIH-JGVFFNPUSA-N -1 0 241.287 0.517 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)NCC1(CCO)CC1 ZINC000911679367 639720561 /nfs/dbraw/zinc/72/05/61/639720561.db2.gz YFNRYXUTVCFROS-QMMMGPOBSA-N -1 0 229.276 0.376 20 0 BCADRM O=C([O-])C1(C(=O)N[C@H]2CCn3cncc3C2)CC1 ZINC000911693878 639730528 /nfs/dbraw/zinc/73/05/28/639730528.db2.gz YVFDDWAVYBXANW-QMMMGPOBSA-N -1 0 249.270 0.179 20 0 BCADRM CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C)C(=O)[O-] ZINC000911711313 639737888 /nfs/dbraw/zinc/73/78/88/639737888.db2.gz HXTFKJINRIBMLZ-UWVGGRQHSA-N -1 0 242.319 0.792 20 0 BCADRM CCCN(C(=O)c1cnn(C)n1)[C@H](C)C(=O)[O-] ZINC000911710003 639737945 /nfs/dbraw/zinc/73/79/45/639737945.db2.gz AVXFAUSUBGBIDZ-SSDOTTSWSA-N -1 0 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ZINC000722450192 711757873 /nfs/dbraw/zinc/75/78/73/711757873.db2.gz WFWAFVHYCAXRKK-HTQZYQBOSA-N -1 0 215.249 0.202 20 0 BCADRM CO[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)C(C)C ZINC000909421374 711774721 /nfs/dbraw/zinc/77/47/21/711774721.db2.gz LFHTURANHOMREK-BDAKNGLRSA-N -1 0 229.276 0.591 20 0 BCADRM C[C@H](C(=O)[O-])C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000165607875 711775897 /nfs/dbraw/zinc/77/58/97/711775897.db2.gz MAKWKADJBGOHFY-BIIVOSGPSA-N -1 0 213.233 0.097 20 0 BCADRM O=C(COC(F)F)[N-]OCc1ccccn1 ZINC000909541522 711782586 /nfs/dbraw/zinc/78/25/86/711782586.db2.gz LQLLGTVEUBNAIA-UHFFFAOYSA-N -1 0 232.186 0.869 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000909554155 711783100 /nfs/dbraw/zinc/78/31/00/711783100.db2.gz UNHMFSSTYZTZFN-VGMNWLOBSA-N -1 0 229.276 0.781 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000909554154 711783126 /nfs/dbraw/zinc/78/31/26/711783126.db2.gz UNHMFSSTYZTZFN-HLTSFMKQSA-N -1 0 229.276 0.781 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CCOCC12CCC2 ZINC000909553525 711783150 /nfs/dbraw/zinc/78/31/50/711783150.db2.gz PLNBACHJARAOJR-SECBINFHSA-N -1 0 241.287 0.879 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N1CCOCC12CCC2 ZINC000909553478 711783154 /nfs/dbraw/zinc/78/31/54/711783154.db2.gz PEFIXQWZTDPNGH-VIFPVBQESA-N -1 0 241.287 0.879 20 0 BCADRM CCC(CC)(NC(=O)[C@H](O)C1CCC1)C(=O)[O-] ZINC000909615412 711786292 /nfs/dbraw/zinc/78/62/92/711786292.db2.gz IAGFCINHYBBCMS-SECBINFHSA-N -1 0 243.303 0.907 20 0 BCADRM COC[C@H](CN1CCOC[C@@H]1C(=O)[O-])C(C)C ZINC000721859002 711791785 /nfs/dbraw/zinc/79/17/85/711791785.db2.gz KJMUCACJABJWRL-WDEREUQCSA-N -1 0 245.319 0.690 20 0 BCADRM C[C@@H]1OCC[C@@H]1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000138513266 711799135 /nfs/dbraw/zinc/79/91/35/711799135.db2.gz GAWRDUHBYYESPM-IUCAKERBSA-N -1 0 241.287 0.783 20 0 BCADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[C@H]1CCOC1 ZINC000899545086 711803226 /nfs/dbraw/zinc/80/32/26/711803226.db2.gz YSYDYQJMUSZFRA-SBMIAAHKSA-N -1 0 239.271 0.489 20 0 BCADRM CO[C@]1(CNC(=O)CCCC(=O)[O-])CCOC1 ZINC000159992840 711805376 /nfs/dbraw/zinc/80/53/76/711805376.db2.gz LVHOYDNWIATXGC-NSHDSACASA-N -1 0 245.275 0.163 20 0 BCADRM CC[C@@H]1C[C@H]1C(=O)N[C@H](COC)C(=O)[O-] ZINC000387634430 711810642 /nfs/dbraw/zinc/81/06/42/711810642.db2.gz VFWZXFSUFVVFAG-BWZBUEFSSA-N -1 0 215.249 0.248 20 0 BCADRM CS(=O)(=O)C=C([O-])c1ccsc1 ZINC000161447283 711811777 /nfs/dbraw/zinc/81/17/77/711811777.db2.gz MBROZUDQQAGMQE-UHFFFAOYSA-N -1 0 204.272 0.975 20 0 BCADRM COC[C@H](NC(=O)c1coc(C)c1)C(=O)[O-] ZINC000161405261 711811893 /nfs/dbraw/zinc/81/18/93/711811893.db2.gz WSALMQXDSFSXHT-QMMMGPOBSA-N -1 0 227.216 0.417 20 0 BCADRM CC[C@H](COC)NC(=O)[C@H](CC)C(=O)[O-] ZINC000908714010 711817112 /nfs/dbraw/zinc/81/71/12/711817112.db2.gz YRFXAKMAYDQQSG-SFYZADRCSA-N -1 0 217.265 0.638 20 0 BCADRM CS/C=C/C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC000911635043 711819210 /nfs/dbraw/zinc/81/92/10/711819210.db2.gz AQFCUMUXCCAZMF-CNEXKXPGSA-N -1 0 245.300 0.300 20 0 BCADRM CCCN(C(=O)Cc1nnc[nH]1)[C@H](C)C(=O)[O-] ZINC000911709497 711819377 /nfs/dbraw/zinc/81/93/77/711819377.db2.gz VGGTZGSJPXQWOB-SSDOTTSWSA-N -1 0 240.263 0.059 20 0 BCADRM CCCN(C(=O)c1cn[nH]c1)[C@@H](C)C(=O)[O-] ZINC000911716805 711819637 /nfs/dbraw/zinc/81/96/37/711819637.db2.gz KSQALHAULUNERG-ZETCQYMHSA-N -1 0 225.248 0.735 20 0 BCADRM O=C([O-])c1cccc(NCC(F)(F)CO)n1 ZINC000228776560 711836657 /nfs/dbraw/zinc/83/66/57/711836657.db2.gz XVHWVLALMQQYML-UHFFFAOYSA-N -1 0 232.186 0.819 20 0 BCADRM CNC(=O)CCNc1nc(C)c(C(=O)[O-])s1 ZINC000087656536 711838103 /nfs/dbraw/zinc/83/81/03/711838103.db2.gz YZFJYOBKANVLSK-UHFFFAOYSA-N -1 0 243.288 0.698 20 0 BCADRM COCCONC(=O)c1ccc(O)cc1F ZINC000229789386 711839038 /nfs/dbraw/zinc/83/90/38/711839038.db2.gz PIORNVIPCVAWQL-UHFFFAOYSA-N -1 0 229.207 0.839 20 0 BCADRM C[C@H](CC(=O)[O-])CC(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000388213163 711853814 /nfs/dbraw/zinc/85/38/14/711853814.db2.gz QCACOXPBHZARSR-DTWKUNHWSA-N -1 0 243.303 0.717 20 0 BCADRM COC[C@@H]1CCCN1C(=O)[C@H](C)C(=O)[O-] ZINC000702804121 711871759 /nfs/dbraw/zinc/87/17/59/711871759.db2.gz PEKLSCYSCGZPFA-YUMQZZPRSA-N -1 0 215.249 0.345 20 0 BCADRM COC(=O)[C@@H](C)Sc1c(C)[n-][nH]c1=O ZINC000916566057 711873158 /nfs/dbraw/zinc/87/31/58/711873158.db2.gz FRWSXQYCBWWKNS-RITPCOANSA-N -1 0 216.262 0.155 20 0 BCADRM Cn1ccnc1CNC(=O)CCCC(=O)[O-] ZINC000070854299 711897258 /nfs/dbraw/zinc/89/72/58/711897258.db2.gz MONIHFWEIMMTON-UHFFFAOYSA-N -1 0 225.248 0.291 20 0 BCADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CC[C@H](C)C1 ZINC000888318319 711916457 /nfs/dbraw/zinc/91/64/57/711916457.db2.gz LBDGOXKIZIAVSP-JGVFFNPUSA-N -1 0 238.295 0.425 20 0 BCADRM CC1(C)CCN(C(=O)COCC(=O)[O-])C1 ZINC000083928740 711921654 /nfs/dbraw/zinc/92/16/54/711921654.db2.gz YTXNVNJAYWJKQD-UHFFFAOYSA-N -1 0 215.249 0.346 20 0 BCADRM Cc1nnc2c(N[C@@H](C)[C@H](C)C(=O)[O-])nccn12 ZINC000133348316 711957824 /nfs/dbraw/zinc/95/78/24/711957824.db2.gz MCCNCDLUXMLBMU-BQBZGAKWSA-N -1 0 249.274 0.954 20 0 BCADRM C[C@@H](NC(=O)c1ccc(=O)[nH]c1)[C@@H](C)C(=O)[O-] ZINC000132722208 711978741 /nfs/dbraw/zinc/97/87/41/711978741.db2.gz TXNZIOKLEVTZNO-RNFRBKRXSA-N -1 0 238.243 0.214 20 0 BCADRM CCCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000132238763 711979650 /nfs/dbraw/zinc/97/96/50/711979650.db2.gz SBGJIIXRSYXEPC-UHFFFAOYSA-N -1 0 220.294 0.243 20 0 BCADRM C[C@@H](NC(=O)Cc1ccncc1)[C@H](C)C(=O)[O-] ZINC000132933142 711981020 /nfs/dbraw/zinc/98/10/20/711981020.db2.gz GKOHSYBQBZHAMA-DTWKUNHWSA-N -1 0 236.271 0.850 20 0 BCADRM C[C@H](CNC(=O)COCC(=O)[O-])CC(F)F ZINC000700064989 711985838 /nfs/dbraw/zinc/98/58/38/711985838.db2.gz PCYLRHHXLGGLOY-LURJTMIESA-N -1 0 239.218 0.495 20 0 BCADRM O=C([N-]OCC(F)(F)F)[C@H]1CSC(=O)N1 ZINC000700625405 712002555 /nfs/dbraw/zinc/00/25/55/712002555.db2.gz VWZAMEWZRBLJEJ-GSVOUGTGSA-N -1 0 244.194 0.422 20 0 BCADRM CC1(C)CC(C(=O)N2CC[C@](O)(C(=O)[O-])C2)C1 ZINC000701505544 712024908 /nfs/dbraw/zinc/02/49/08/712024908.db2.gz FQIDCGYCNJNVLL-GFCCVEGCSA-N -1 0 241.287 0.471 20 0 BCADRM C[C@H]1CCN(C(=O)c2cccnn2)C[C@@H]1C(=O)[O-] ZINC000701770372 712028718 /nfs/dbraw/zinc/02/87/18/712028718.db2.gz WOFHJSMQWOTEAK-IUCAKERBSA-N -1 0 249.270 0.659 20 0 BCADRM Cc1nnccc1C(=O)NCC1(C(=O)[O-])CC1 ZINC000701803737 712029288 /nfs/dbraw/zinc/02/92/88/712029288.db2.gz UFEZDHMSNQKNAX-UHFFFAOYSA-N -1 0 235.243 0.380 20 0 BCADRM O=C([O-])C1=CC[C@H](NC(=O)c2cccnn2)C1 ZINC000701799193 712029306 /nfs/dbraw/zinc/02/93/06/712029306.db2.gz LQZUTSVYKUHLML-QMMMGPOBSA-N -1 0 233.227 0.380 20 0 BCADRM Cc1nnccc1C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000701814433 712029618 /nfs/dbraw/zinc/02/96/18/712029618.db2.gz QFQREQWRDSHQMT-JTQLQIEISA-N -1 0 249.270 0.768 20 0 BCADRM O=C([O-])[C@H]1CC[C@H]1C(=O)NCCC1CC(O)C1 ZINC000702487075 712053277 /nfs/dbraw/zinc/05/32/77/712053277.db2.gz JPAMVDVPWBJVQL-BMNUFHGDSA-N -1 0 241.287 0.374 20 0 BCADRM Cc1c[nH]nc1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000702516434 712054292 /nfs/dbraw/zinc/05/42/92/712054292.db2.gz FNAIZXNSOXRWLH-QMMMGPOBSA-N -1 0 235.243 0.621 20 0 BCADRM CCOCC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000702584634 712055758 /nfs/dbraw/zinc/05/57/58/712055758.db2.gz URFSPYDDJLBOAN-QMMMGPOBSA-N -1 0 213.233 0.313 20 0 BCADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cnc[nH]1 ZINC000703080915 712066582 /nfs/dbraw/zinc/06/65/82/712066582.db2.gz PUQISVFXUGCEQS-IZLXSQMJSA-N -1 0 209.205 0.003 20 0 BCADRM COc1ccnc(N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC000703115726 712066642 /nfs/dbraw/zinc/06/66/42/712066642.db2.gz XHTGGWCVFJEUIJ-OCAPTIKFSA-N -1 0 237.259 0.785 20 0 BCADRM COCC[C@H](C)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000703476159 712075822 /nfs/dbraw/zinc/07/58/22/712075822.db2.gz CISJUSLAAWPFLJ-XHNCKOQMSA-N -1 0 244.291 0.574 20 0 BCADRM Cn1cccc1C(=O)NC1CC(C(=O)[O-])C1 ZINC000703457772 712075831 /nfs/dbraw/zinc/07/58/31/712075831.db2.gz KRIULYYRVITIBD-UHFFFAOYSA-N -1 0 222.244 0.618 20 0 BCADRM Cc1nc(C)c(C(=O)NC2CC(C(=O)[O-])C2)o1 ZINC000703435898 712076507 /nfs/dbraw/zinc/07/65/07/712076507.db2.gz HTSGICOSDNUUBG-UHFFFAOYSA-N -1 0 238.243 0.884 20 0 BCADRM Cn1ncc2c1ncnc2N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000703517177 712078026 /nfs/dbraw/zinc/07/80/26/712078026.db2.gz HJYJSPZVBGICBR-KNVOCYPGSA-N -1 0 247.258 0.638 20 0 BCADRM CO[C@@H](C)CCNC(=O)NC1CC(C(=O)[O-])C1 ZINC000703572111 712079299 /nfs/dbraw/zinc/07/92/99/712079299.db2.gz VARHFGDONVROOP-UEJVZZJDSA-N -1 0 244.291 0.574 20 0 BCADRM O=C([O-])C1CC(NC(=O)NCc2ccccn2)C1 ZINC000703584777 712079845 /nfs/dbraw/zinc/07/98/45/712079845.db2.gz LANISOCQBTVDAY-UHFFFAOYSA-N -1 0 249.270 0.744 20 0 BCADRM CO[C@@]1(C(=O)[O-])CCN(c2nccc(C)n2)C1 ZINC000703757397 712085823 /nfs/dbraw/zinc/08/58/23/712085823.db2.gz FVUIRXPRCVZJKX-NSHDSACASA-N -1 0 237.259 0.465 20 0 BCADRM O=C([O-])C12CC(C1)CN2c1cnccn1 ZINC000704100253 712099989 /nfs/dbraw/zinc/09/99/89/712099989.db2.gz DUDWRWHCYOXKFK-UHFFFAOYSA-N -1 0 205.217 0.530 20 0 BCADRM CCCN(C)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC000704128515 712100700 /nfs/dbraw/zinc/10/07/00/712100700.db2.gz CBFULLBGYCDEQH-LLVKDONJSA-N -1 0 244.291 0.624 20 0 BCADRM CC[C@H](CNC(=O)c1cc(OC)no1)C(=O)[O-] ZINC000704711712 712113859 /nfs/dbraw/zinc/11/38/59/712113859.db2.gz MCGVVLNDENRVSK-ZCFIWIBFSA-N -1 0 242.231 0.524 20 0 BCADRM Cc1cocc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000704764242 712115322 /nfs/dbraw/zinc/11/53/22/712115322.db2.gz RBOVITKXDVAIEC-NSHDSACASA-N -1 0 239.227 0.250 20 0 BCADRM Cn1[n-]nnc1=NCC[C@@H]1CCSC1 ZINC000704838582 712117801 /nfs/dbraw/zinc/11/78/01/712117801.db2.gz QXOUSXHSJSFTCU-SSDOTTSWSA-N -1 0 213.310 0.187 20 0 BCADRM O=C([O-])CCNC(=O)NCC[C@H]1CCSC1 ZINC000704909083 712121798 /nfs/dbraw/zinc/12/17/98/712121798.db2.gz ZGJZJJQOWXNBMV-QMMMGPOBSA-N -1 0 246.332 0.904 20 0 BCADRM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000705212044 712124244 /nfs/dbraw/zinc/12/42/44/712124244.db2.gz HJVSYIOLDNUETR-RNJXMRFFSA-N -1 0 209.245 0.766 20 0 BCADRM O=C([O-])[C@@H]1COCCN1c1ncnc2[nH]ccc21 ZINC000705191284 712125441 /nfs/dbraw/zinc/12/54/41/712125441.db2.gz PWPQVFNEHAJTAY-QMMMGPOBSA-N -1 0 248.242 0.248 20 0 BCADRM CN(CC(=O)[O-])C(=O)c1ccsn1 ZINC000705308303 712127544 /nfs/dbraw/zinc/12/75/44/712127544.db2.gz HLJDDOUITOGJSH-UHFFFAOYSA-N -1 0 200.219 0.300 20 0 BCADRM C[C@@H](CNC(=O)c1ccsn1)C(=O)[O-] ZINC000705322541 712128606 /nfs/dbraw/zinc/12/86/06/712128606.db2.gz LSELBXRNCARLAA-YFKPBYRVSA-N -1 0 214.246 0.594 20 0 BCADRM CC[C@H](CNC(=O)c1ccsn1)C(=O)[O-] ZINC000705344188 712129166 /nfs/dbraw/zinc/12/91/66/712129166.db2.gz ULJCXNIWSYQHCQ-ZCFIWIBFSA-N -1 0 228.273 0.984 20 0 BCADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccsn1 ZINC000705363272 712130554 /nfs/dbraw/zinc/13/05/54/712130554.db2.gz CFMPRNBCMASRAI-OLQVQODUSA-N -1 0 226.257 0.736 20 0 BCADRM Cc1ncccc1CNC(=O)COCC(=O)[O-] ZINC000705529023 712132468 /nfs/dbraw/zinc/13/24/68/712132468.db2.gz ZJVAVKKCMLGQMD-UHFFFAOYSA-N -1 0 238.243 0.107 20 0 BCADRM O=C([O-])c1cc(N2CCC[C@@H](CO)C2)ncn1 ZINC000705827263 712136399 /nfs/dbraw/zinc/13/63/99/712136399.db2.gz LAEHRSQXLHCGJB-MRVPVSSYSA-N -1 0 237.259 0.384 20 0 BCADRM CC(C)[C@@](C)(O)CNc1cc(C(=O)[O-])ncn1 ZINC000705834178 712136730 /nfs/dbraw/zinc/13/67/30/712136730.db2.gz WUCDATQQGDAWRO-NSHDSACASA-N -1 0 239.275 0.994 20 0 BCADRM CC1(C)CN(c2cc(C(=O)[O-])ncn2)C[C@@H]1O ZINC000705790659 712137215 /nfs/dbraw/zinc/13/72/15/712137215.db2.gz KMLFMPWJPRORMZ-QMMMGPOBSA-N -1 0 237.259 0.382 20 0 BCADRM CC[C@@H](O)CNc1cc(C(=O)[O-])ncn1 ZINC000705792006 712137246 /nfs/dbraw/zinc/13/72/46/712137246.db2.gz URKVFSQLWCNDLK-ZCFIWIBFSA-N -1 0 211.221 0.358 20 0 BCADRM CC1(C)C[C@@]1(C)NC(=O)COCC(=O)[O-] ZINC000706417195 712145843 /nfs/dbraw/zinc/14/58/43/712145843.db2.gz BSQKNUFRINJVLK-SNVBAGLBSA-N -1 0 215.249 0.392 20 0 BCADRM O=C([O-])C1(O)CN(C(=O)OC2CCCC2)C1 ZINC000706470559 712146720 /nfs/dbraw/zinc/14/67/20/712146720.db2.gz ZRMWTUWGDMJLDV-UHFFFAOYSA-N -1 0 229.232 0.197 20 0 BCADRM CCC[C@H](NC(=O)N[C@H]1C[C@H](OC)C1)C(=O)[O-] ZINC000706547338 712149237 /nfs/dbraw/zinc/14/92/37/712149237.db2.gz HUQFYSFDYJOGPM-CIUDSAMLSA-N -1 0 244.291 0.716 20 0 BCADRM 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345394026 /nfs/dbraw/zinc/39/40/26/345394026.db2.gz DEDQCCNKMCWDKP-RNFRBKRXSA-N -1 0 209.253 0.047 20 0 BCADRM Cc1ccncc1NC(=O)CCCc1nnn[n-]1 ZINC000635502041 345401228 /nfs/dbraw/zinc/40/12/28/345401228.db2.gz WZRYMTVJDQXZDU-UHFFFAOYSA-N -1 0 246.274 0.865 20 0 BCADRM NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000082041039 345496658 /nfs/dbraw/zinc/49/66/58/345496658.db2.gz OQIFJFXJUQFXLF-UHFFFAOYSA-N -1 0 224.166 0.905 20 0 BCADRM Cc1cc(C(=O)N(C)[C@H](C)CC(=O)[O-])[nH]n1 ZINC000082243278 345497556 /nfs/dbraw/zinc/49/75/56/345497556.db2.gz ULWVTWCDECYPHV-SSDOTTSWSA-N -1 0 225.248 0.653 20 0 BCADRM Cc1[nH]nc(C(=O)N(C)CC(=O)[O-])c1C ZINC000082243283 345497605 /nfs/dbraw/zinc/49/76/05/345497605.db2.gz CVCFVVXRYOXFCI-UHFFFAOYSA-N -1 0 211.221 0.183 20 0 BCADRM CC(C)c1cc(C(=O)N(C)CC(=O)[O-])no1 ZINC000082242731 345497665 /nfs/dbraw/zinc/49/76/65/345497665.db2.gz GVEUAPCWCATNMB-UHFFFAOYSA-N -1 0 226.232 0.955 20 0 BCADRM Cc1cc(C(=O)N(C)[C@@H](C)CC(=O)[O-])[nH]n1 ZINC000082243277 345497770 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345552038 /nfs/dbraw/zinc/55/20/38/345552038.db2.gz VLYDUVZADCVMKK-UHFFFAOYSA-N -1 0 234.259 0.662 20 0 BCADRM CN(CCc1nccs1)Cc1n[nH]c(=O)[n-]1 ZINC000089264247 345552096 /nfs/dbraw/zinc/55/20/96/345552096.db2.gz YOIYBMICPRUAQW-UHFFFAOYSA-N -1 0 239.304 0.229 20 0 BCADRM C[C@@H]1SCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000091579301 345598853 /nfs/dbraw/zinc/59/88/53/345598853.db2.gz RNUCUUOCCBHFBZ-BQBZGAKWSA-N -1 0 228.321 0.424 20 0 BCADRM C[C@@H](SCc1n[nH]c(=O)[n-]1)[C@H](C)O ZINC000091587741 345599623 /nfs/dbraw/zinc/59/96/23/345599623.db2.gz AMTRPKKUBAZLQE-CRCLSJGQSA-N -1 0 203.267 0.101 20 0 BCADRM CC(=O)[C@H](C)SCc1n[nH]c(=O)[n-]1 ZINC000091587914 345599627 /nfs/dbraw/zinc/59/96/27/345599627.db2.gz ANUIJGXDVJNJOE-YFKPBYRVSA-N -1 0 201.251 0.309 20 0 BCADRM O=c1[n-]c(CN2CCOCC23CCC3)n[nH]1 ZINC000091632489 345602680 /nfs/dbraw/zinc/60/26/80/345602680.db2.gz UHTWVFAFSQZPHT-UHFFFAOYSA-N -1 0 224.264 0.265 20 0 BCADRM Cc1cn(C)nc1[N-]S(=O)(=O)c1ncc[nH]1 ZINC000641694576 362608979 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ZINC000044619710 411138596 /nfs/dbraw/zinc/13/85/96/411138596.db2.gz MQUMCOQKWHCVOY-LURJTMIESA-N -1 0 235.247 0.652 20 0 BCADRM CC[C@@H](C(=O)[O-])N(C)C(=O)NC(C)C ZINC000044617612 411138619 /nfs/dbraw/zinc/13/86/19/411138619.db2.gz IYDKAOOKOXEUEI-ZETCQYMHSA-N -1 0 202.254 0.899 20 0 BCADRM Cc1cn2nc(N[C@@H](C)CC(=O)[O-])sc2n1 ZINC000416428643 411146179 /nfs/dbraw/zinc/14/61/79/411146179.db2.gz VONLYZMECQQBEO-YFKPBYRVSA-N -1 0 240.288 1.374 20 0 BCADRM COCC1(CNC(=O)NCCC(=O)[O-])CC1 ZINC000655878204 411151643 /nfs/dbraw/zinc/15/16/43/411151643.db2.gz BYXHSAFJAFHLOR-UHFFFAOYSA-N -1 0 230.264 0.187 20 0 BCADRM CC[C@H](NC(=O)NC[C@H](C)C(=O)[O-])C(C)(C)O ZINC000655881325 411152671 /nfs/dbraw/zinc/15/26/71/411152671.db2.gz KXBUPDKOULWQQM-YUMQZZPRSA-N -1 0 246.307 0.556 20 0 BCADRM CC[C@H]1CCN1C(=O)NC[C@H](C)C(=O)[O-] ZINC000655881255 411152755 /nfs/dbraw/zinc/15/27/55/411152755.db2.gz JUCQXELKMMGBST-YUMQZZPRSA-N -1 0 214.265 0.901 20 0 BCADRM CO[C@H]1C[C@@H](N(C)C(=O)NC[C@@H](C)C(=O)[O-])C1 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CC(C)N(C[C@H](C)O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655884082 411153594 /nfs/dbraw/zinc/15/35/94/411153594.db2.gz DASOJBZHMKVZFQ-BDAKNGLRSA-N -1 0 246.307 0.508 20 0 BCADRM C[C@@H](CCCO)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655881983 411153614 /nfs/dbraw/zinc/15/36/14/411153614.db2.gz SIYPSCPIDWPBAF-IUCAKERBSA-N -1 0 246.307 0.415 20 0 BCADRM C[C@H](CNC(=O)N1C[C@H](C)[C@@H]1C)C(=O)[O-] ZINC000655882012 411153625 /nfs/dbraw/zinc/15/36/25/411153625.db2.gz SSXYAOXILDKHCB-CSMHCCOUSA-N -1 0 214.265 0.757 20 0 BCADRM CC[C@@H](CCO)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655884632 411153629 /nfs/dbraw/zinc/15/36/29/411153629.db2.gz IGLJUTHJGXAZKA-IUCAKERBSA-N -1 0 246.307 0.415 20 0 BCADRM C[C@H](CNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)[O-] ZINC000655882332 411153738 /nfs/dbraw/zinc/15/37/38/411153738.db2.gz IEEPAENPRQKWQC-BGZDPUMWSA-N -1 0 242.275 0.326 20 0 BCADRM CC(C)[C@@](C)(O)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655885802 411153775 /nfs/dbraw/zinc/15/37/75/411153775.db2.gz AFKINYVMJQOLLG-KWQFWETISA-N 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411124123 /nfs/dbraw/zinc/12/41/23/411124123.db2.gz CFTOYTDCWFHJNV-VIFPVBQESA-N -1 0 240.259 0.853 20 0 BCADRM C[C@@H](O)Cn1[n-]c(C(F)(F)F)cc1=O ZINC000106385521 411124304 /nfs/dbraw/zinc/12/43/04/411124304.db2.gz IPSLVKWHPFTSCG-SCSAIBSYSA-N -1 0 210.155 0.518 20 0 BCADRM CC[C@H](OC)C(=O)N(CC(=O)[O-])C1CCC1 ZINC000655590943 411168488 /nfs/dbraw/zinc/16/84/88/411168488.db2.gz CCYUCKPHXMSCGO-VIFPVBQESA-N -1 0 229.276 0.877 20 0 BCADRM C[C@@H]1C[C@H](O)CN(c2ccc(C(=O)[O-])cn2)C1 ZINC000401653782 411168825 /nfs/dbraw/zinc/16/88/25/411168825.db2.gz MDBYWRDZFMWWFO-SCZZXKLOSA-N -1 0 236.271 0.987 20 0 BCADRM COCCOCC(=O)N(CC(=O)[O-])C1CCC1 ZINC000655596419 411170454 /nfs/dbraw/zinc/17/04/54/411170454.db2.gz FHOYPCIBYPBUCQ-UHFFFAOYSA-N -1 0 245.275 0.115 20 0 BCADRM Cc1cn(C)nc1C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000659180022 411172198 /nfs/dbraw/zinc/17/21/98/411172198.db2.gz QPXMZSNJNRVUMG-UHFFFAOYSA-N -1 0 249.270 0.418 20 0 BCADRM C[C@@H]1C[C@H]1C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655602857 411172605 /nfs/dbraw/zinc/17/26/05/411172605.db2.gz OCTIHOWXDIIOHK-IEBDPFPHSA-N -1 0 248.282 0.850 20 0 BCADRM CCCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655603502 411172726 /nfs/dbraw/zinc/17/27/26/411172726.db2.gz ZBJXCGIZWXHOEF-JTQLQIEISA-N -1 0 236.271 0.994 20 0 BCADRM C[C@@H](CNc1nc(C(N)=O)cs1)C(=O)[O-] ZINC000656091595 411174322 /nfs/dbraw/zinc/17/43/22/411174322.db2.gz FFQUFTZMOOGHAI-BYPYZUCNSA-N -1 0 229.261 0.375 20 0 BCADRM CN(CCc1ccncc1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000048259423 411182926 /nfs/dbraw/zinc/18/29/26/411182926.db2.gz ISKRLLZJQFKBCX-GHMZBOCLSA-N -1 0 248.282 0.803 20 0 BCADRM O=C([O-])[C@@H](CCF)NS(=O)(=O)CCCF ZINC000656163276 411189548 /nfs/dbraw/zinc/18/95/48/411189548.db2.gz TXJQCHRBYMDLSD-ZCFIWIBFSA-N -1 0 245.247 0.078 20 0 BCADRM COC[C@H](C)CNC(=O)C[C@@H](C)CC(=O)[O-] ZINC000061837373 411192326 /nfs/dbraw/zinc/19/23/26/411192326.db2.gz COFGPTLJIABECZ-RKDXNWHRSA-N -1 0 231.292 0.886 20 0 BCADRM C[C@H](CN(C)C(=O)CC[C@@H]1CCOC1)C(=O)[O-] ZINC000401353165 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411305738 /nfs/dbraw/zinc/30/57/38/411305738.db2.gz NUEPVZTUUSNWBO-MRVPVSSYSA-N -1 0 246.307 0.964 20 0 BCADRM C/C=C/C[C@@H](NC(=O)NC[C@@H](C)OC)C(=O)[O-] ZINC000656593132 411306059 /nfs/dbraw/zinc/30/60/59/411306059.db2.gz RQOVSPAJRJHEMB-HOMPQPGZSA-N -1 0 244.291 0.740 20 0 BCADRM C[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C)O1)C(=O)[O-] ZINC000656597587 411306077 /nfs/dbraw/zinc/30/60/77/411306077.db2.gz SUKWDHIOOYHEIW-VGMNWLOBSA-N -1 0 244.291 0.716 20 0 BCADRM C[C@H](NC(=O)NCCc1ccoc1)C(=O)[O-] ZINC000656594684 411306142 /nfs/dbraw/zinc/30/61/42/411306142.db2.gz STSBDARPJDYVRN-ZETCQYMHSA-N -1 0 226.232 0.594 20 0 BCADRM C/C=C\C[C@@H](NC(=O)NC[C@H](C)OC)C(=O)[O-] ZINC000656591668 411306154 /nfs/dbraw/zinc/30/61/54/411306154.db2.gz RQOVSPAJRJHEMB-CGECUYNFSA-N -1 0 244.291 0.740 20 0 BCADRM Cc1cnn(C)c1NC(=O)NCCC(=O)[O-] ZINC000656604959 411306764 /nfs/dbraw/zinc/30/67/64/411306764.db2.gz MJEXARAOISWYGK-UHFFFAOYSA-N -1 0 226.236 0.325 20 0 BCADRM O=C([O-])[C@@H](CF)NC(=O)NCCc1ccoc1 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Cc1nnc(N[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000572164171 411799020 /nfs/dbraw/zinc/79/90/20/411799020.db2.gz SPVSLSMFCYZDKL-NKWVEPMBSA-N -1 0 211.221 1.043 20 0 BCADRM C[C@@H](CC(=O)[O-])Nc1nccnc1OC(F)F ZINC000416424161 411815976 /nfs/dbraw/zinc/81/59/76/411815976.db2.gz AYBJSVCRPKRJCN-YFKPBYRVSA-N -1 0 247.201 1.353 20 0 BCADRM C[C@@H](CNc1ccnc(C2CC2)n1)C(=O)[O-] ZINC000566296622 411819966 /nfs/dbraw/zinc/81/99/66/411819966.db2.gz DZXGDLBBPSKQQZ-ZETCQYMHSA-N -1 0 221.260 1.487 20 0 BCADRM C[C@@H](CNc1ncc(C(F)F)cn1)C(=O)[O-] ZINC000574403958 411820000 /nfs/dbraw/zinc/82/00/00/411820000.db2.gz NDBXGNVQHFWKLS-YFKPBYRVSA-N -1 0 231.202 1.547 20 0 BCADRM C[C@@H](CNc1nccnc1C(F)F)C(=O)[O-] ZINC000393772415 411820076 /nfs/dbraw/zinc/82/00/76/411820076.db2.gz BQGDJYGPVCOSDK-YFKPBYRVSA-N -1 0 231.202 1.547 20 0 BCADRM C[C@@H](CNc1ccc(C(=O)[O-])nn1)C[C@H](C)O ZINC000397859116 411820147 /nfs/dbraw/zinc/82/01/47/411820147.db2.gz WRZMXKXOQVVQSO-SFYZADRCSA-N -1 0 239.275 0.994 20 0 BCADRM CC[C@@H](C)CS(=O)(=O)N[C@H](C)CC(=O)[O-] ZINC000308848538 170713048 /nfs/dbraw/zinc/71/30/48/170713048.db2.gz NEBUYENLEPUGSK-HTQZYQBOSA-N -1 0 237.321 0.815 20 0 BCADRM C[C@@H](Nc1nc(C(=O)[O-])co1)c1csnn1 ZINC000398247982 411831628 /nfs/dbraw/zinc/83/16/28/411831628.db2.gz UHVWBOBCZUKXQP-SCSAIBSYSA-N -1 0 240.244 1.397 20 0 BCADRM CN(Cc1n[nH]c(=O)[n-]1)CC1=CCCOC1 ZINC000661652783 411831643 /nfs/dbraw/zinc/83/16/43/411831643.db2.gz CLILIGPKTLIYQE-UHFFFAOYSA-N -1 0 224.264 0.289 20 0 BCADRM C[C@@H](O)C[C@@H](C)CNc1ncncc1C(=O)[O-] ZINC000397823328 411832025 /nfs/dbraw/zinc/83/20/25/411832025.db2.gz IDBZBZKSZDUGCK-HTQZYQBOSA-N -1 0 239.275 0.994 20 0 BCADRM C[C@@H](O)CCN(C)c1ccc(C(=O)[O-])cn1 ZINC000219782562 411903274 /nfs/dbraw/zinc/90/32/74/411903274.db2.gz VCIGMCZUTFXVQQ-MRVPVSSYSA-N -1 0 224.260 0.987 20 0 BCADRM Nc1cc(CSCCc2nn[nH]n2)ccn1 ZINC000603339468 411943842 /nfs/dbraw/zinc/94/38/42/411943842.db2.gz DMESIDQAWWDJDT-UHFFFAOYSA-N -1 0 236.304 0.653 20 0 BCADRM C[C@@]1(CN=c2nc3[nH][nH]cc-3c(N)n2)CCCO1 ZINC000544837246 411917152 /nfs/dbraw/zinc/91/71/52/411917152.db2.gz LHBGIPSKLZWGBJ-NSHDSACASA-N -1 0 248.290 0.290 20 0 BCADRM Cc1nc(=N[C@H](C)c2nccc(N)n2)s[n-]1 ZINC000631352612 411937874 /nfs/dbraw/zinc/93/78/74/411937874.db2.gz DHZWKBQAEIWROG-RXMQYKEDSA-N -1 0 236.304 0.814 20 0 BCADRM CC[C@H](COCC1CC1)N=c1nn[n-]n1C ZINC000664174954 411882127 /nfs/dbraw/zinc/88/21/27/411882127.db2.gz SBKQMIGPTLRPIT-SECBINFHSA-N -1 0 225.296 0.249 20 0 BCADRM CC[C@@H](NC(=O)COCC(F)(F)F)C(=O)[O-] ZINC000123908760 170877086 /nfs/dbraw/zinc/87/70/86/170877086.db2.gz HWHBKWPXQPZVDF-RXMQYKEDSA-N -1 0 243.181 0.545 20 0 BCADRM CC[C@@H](NC(=O)Nc1ccn(C)n1)C(=O)[O-] ZINC000040594285 170880443 /nfs/dbraw/zinc/88/04/43/170880443.db2.gz BHBGGAOOUCNJSP-ZCFIWIBFSA-N -1 0 226.236 0.405 20 0 BCADRM CCN(CC(=O)NCC1CCC1)[C@H](C)C(=O)[O-] ZINC000662215501 412027239 /nfs/dbraw/zinc/02/72/39/412027239.db2.gz KQLFUTLNRYUVFG-SECBINFHSA-N -1 0 242.319 0.698 20 0 BCADRM C[C@H](O[C@@H](C)C(=O)NC1CC1)C(=O)[O-] ZINC000134061827 412047134 /nfs/dbraw/zinc/04/71/34/412047134.db2.gz MEBDKZIFUGPNER-WDSKDSINSA-N -1 0 201.222 0.143 20 0 BCADRM CC(C)NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-] ZINC000134069689 412053266 /nfs/dbraw/zinc/05/32/66/412053266.db2.gz KATDDDVUYPRHOP-RNFRBKRXSA-N -1 0 203.238 0.389 20 0 BCADRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)N1CCCC1 ZINC000134095898 412058581 /nfs/dbraw/zinc/05/85/81/412058581.db2.gz XNKQKQIDLOUTAV-SFYZADRCSA-N -1 0 215.249 0.487 20 0 BCADRM CC[C@@H]1CC[C@@H](C(=O)N[C@@H](C)C(=O)[O-])O1 ZINC000261529308 171030352 /nfs/dbraw/zinc/03/03/52/171030352.db2.gz AOCKAQRFMLLFIL-RNJXMRFFSA-N -1 0 215.249 0.533 20 0 BCADRM CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC ZINC000308888248 171154003 /nfs/dbraw/zinc/15/40/03/171154003.db2.gz WPNXVJHNZPGWLP-JGVFFNPUSA-N -1 0 235.305 0.521 20 0 BCADRM CC[C@@](C)(NC(=O)[C@H](C)n1cccn1)C(=O)[O-] ZINC000094220307 171174104 /nfs/dbraw/zinc/17/41/04/171174104.db2.gz QHFUTWUCWPXINC-GZMMTYOYSA-N -1 0 239.275 0.814 20 0 BCADRM CC[C@@](C)(NC(=O)c1nccnc1N)C(=O)[O-] ZINC000262091474 171174827 /nfs/dbraw/zinc/17/48/27/171174827.db2.gz GNBGJXIVVJSXBS-SNVBAGLBSA-N -1 0 238.247 0.042 20 0 BCADRM CC[C@@](C)(NC(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000094219239 171174849 /nfs/dbraw/zinc/17/48/49/171174849.db2.gz MCWRDXSOYLCKSD-LLVKDONJSA-N -1 0 239.275 0.712 20 0 BCADRM CC[C@@](C)(O)C[N-]S(=O)(=O)CC(F)(F)F ZINC000332495453 171185018 /nfs/dbraw/zinc/18/50/18/171185018.db2.gz RUNSVTMASYSVQE-ZCFIWIBFSA-N -1 0 249.254 0.629 20 0 BCADRM CC[C@H](C)CC(=O)NC(C)(C)c1nnn[n-]1 ZINC000359298733 171259254 /nfs/dbraw/zinc/25/92/54/171259254.db2.gz FTSTXOZWPHCWHC-ZETCQYMHSA-N -1 0 225.296 0.987 20 0 BCADRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)C1CC1 ZINC000070907826 171310884 /nfs/dbraw/zinc/31/08/84/171310884.db2.gz FOTKVEJZRBVWLQ-ZETCQYMHSA-N -1 0 235.305 0.664 20 0 BCADRM CC[C@H](C)N(CC(=O)[O-])C(=O)N(C)C ZINC000040558952 171310909 /nfs/dbraw/zinc/31/09/09/171310909.db2.gz JKJRIOZZJUHUED-ZETCQYMHSA-N -1 0 202.254 0.853 20 0 BCADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1CCCO1 ZINC000037473795 171311480 /nfs/dbraw/zinc/31/14/80/171311480.db2.gz BXHCVCXIVFWKEM-IUCAKERBSA-N -1 0 229.276 0.877 20 0 BCADRM CC[C@H](C)NC(=O)CN1CCCC[C@@H]1C(=O)[O-] ZINC000035297520 171324463 /nfs/dbraw/zinc/32/44/63/171324463.db2.gz QDKTZBCOZGZCDA-VHSXEESVSA-N -1 0 242.319 0.840 20 0 BCADRM CC[C@H](C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000186735687 171327021 /nfs/dbraw/zinc/32/70/21/171327021.db2.gz KXFCGIXEZVHFGL-YFKPBYRVSA-N -1 0 230.293 0.517 20 0 BCADRM CC[C@H](C)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043705701 171328743 /nfs/dbraw/zinc/32/87/43/171328743.db2.gz VBIHXIZOMYYPTG-YUMQZZPRSA-N -1 0 230.264 0.280 20 0 BCADRM CC[C@H](C)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000019983331 171344420 /nfs/dbraw/zinc/34/44/20/171344420.db2.gz KBXUCEBLHJWINQ-BQBZGAKWSA-N -1 0 223.294 0.425 20 0 BCADRM CC[C@H](C)[C@@H](C)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357063798 171359259 /nfs/dbraw/zinc/35/92/59/171359259.db2.gz ZNUUXAOXFGNWAD-JGVFFNPUSA-N -1 0 237.307 0.987 20 0 BCADRM CC[C@H](C)[C@@H](C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000249252169 171359494 /nfs/dbraw/zinc/35/94/94/171359494.db2.gz GRPXFHVNTMYDKE-IVZWLZJFSA-N -1 0 243.303 0.981 20 0 BCADRM CC[C@H](C)[C@@H](NC(=O)[C@@H](C)COC)C(=O)[O-] ZINC000236945468 171373819 /nfs/dbraw/zinc/37/38/19/171373819.db2.gz VAGFIHPFHLNSEQ-XHNCKOQMSA-N -1 0 231.292 0.884 20 0 BCADRM CC[C@H](C)[C@H](C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000249252172 171383481 /nfs/dbraw/zinc/38/34/81/171383481.db2.gz GRPXFHVNTMYDKE-LPEHRKFASA-N -1 0 243.303 0.981 20 0 BCADRM CC[C@H](C)[C@H](C)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357063800 171384072 /nfs/dbraw/zinc/38/40/72/171384072.db2.gz ZNUUXAOXFGNWAD-YUMQZZPRSA-N -1 0 237.307 0.987 20 0 BCADRM CC[C@H](C)[C@H](NC(=O)N(C)C)C(=O)[O-] ZINC000040558864 171398126 /nfs/dbraw/zinc/39/81/26/171398126.db2.gz UQDDUMWIYLJUFT-BQBZGAKWSA-N -1 0 202.254 0.757 20 0 BCADRM CC[C@H](C)[C@H](NC(=O)c1cnc(C)[nH]1)C(=O)[O-] ZINC000263415246 171399245 /nfs/dbraw/zinc/39/92/45/171399245.db2.gz 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585016474 /nfs/dbraw/zinc/01/64/74/585016474.db2.gz PZBNAGZTPCZTOU-UHFFFAOYSA-N -1 0 249.679 0.819 20 0 BCADRM C[C@H]1CN(C(=O)CCCNC(=O)[O-])CCO1 ZINC000736804491 585016020 /nfs/dbraw/zinc/01/60/20/585016020.db2.gz DGUUGHWNSGGBAP-QMMMGPOBSA-N -1 0 230.264 0.282 20 0 BCADRM C[C@@H]1CN(C(=O)CN(C)C(=O)[O-])CCCO1 ZINC000736805434 585016235 /nfs/dbraw/zinc/01/62/35/585016235.db2.gz PUBIYWGHGIUWDJ-MRVPVSSYSA-N -1 0 230.264 0.234 20 0 BCADRM O=C([O-])CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC000821524821 585016451 /nfs/dbraw/zinc/01/64/51/585016451.db2.gz BJYHMFZNBYFJQH-QMMMGPOBSA-N -1 0 237.259 0.036 20 0 BCADRM C[C@H]1CN(C(=O)[O-])C[C@H]1N1CCOCC1 ZINC000736815338 585016607 /nfs/dbraw/zinc/01/66/07/585016607.db2.gz ZQTNQCDKSRMXQJ-DTWKUNHWSA-N -1 0 214.265 0.317 20 0 BCADRM C[C@@H]1CSCCN1C(=O)CCCNC(=O)[O-] ZINC000736824840 585016940 /nfs/dbraw/zinc/01/69/40/585016940.db2.gz GCFFXHKJMRVEAC-MRVPVSSYSA-N -1 0 246.332 0.998 20 0 BCADRM C/C=C/C=C/C(=O)N(CC(=O)[O-])CC(=O)OC ZINC000736840719 585017033 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CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H](C)CCCO ZINC000824775764 587287021 /nfs/dbraw/zinc/28/70/21/587287021.db2.gz HANWZMYDIMCLLS-IUCAKERBSA-N -1 0 246.307 0.556 20 0 BCADRM C[C@H](CCNC(=O)C1=CCCCO1)NC(=O)[O-] ZINC000824786934 587287666 /nfs/dbraw/zinc/28/76/66/587287666.db2.gz RXFMDVOUEQISLL-MRVPVSSYSA-N -1 0 242.275 0.843 20 0 BCADRM C[C@@H](CCNC(=O)Cn1ccnc1)NC(=O)[O-] ZINC000824787304 587287821 /nfs/dbraw/zinc/28/78/21/587287821.db2.gz VMBTYBXFHSBIIB-QMMMGPOBSA-N -1 0 240.263 0.046 20 0 BCADRM C[C@@H](CCO)CNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824803126 587288332 /nfs/dbraw/zinc/28/83/32/587288332.db2.gz PUCACQHAWMNFLE-DTWKUNHWSA-N -1 0 244.291 0.121 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)NC1=NCCS1 ZINC000824848076 587289846 /nfs/dbraw/zinc/28/98/46/587289846.db2.gz LRZVRYURHIDXEG-ZCFIWIBFSA-N -1 0 245.304 0.451 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NC1CC1 ZINC000824850520 587290168 /nfs/dbraw/zinc/29/01/68/587290168.db2.gz XIADQYNYTFVRRL-LURJTMIESA-N -1 0 200.238 0.511 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCC1CC1 ZINC000824853525 587290311 /nfs/dbraw/zinc/29/03/11/587290311.db2.gz ARFNHYYXQHSJBJ-SSDOTTSWSA-N -1 0 214.265 0.759 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)N[C@H]1CCSC1 ZINC000824850058 587290409 /nfs/dbraw/zinc/29/04/09/587290409.db2.gz VZXXMDDDVCCMJU-SFYZADRCSA-N -1 0 246.332 0.854 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCC(F)F ZINC000824855418 587290460 /nfs/dbraw/zinc/29/04/60/587290460.db2.gz RMLYHEPTLDALPW-RXMQYKEDSA-N -1 0 224.207 0.614 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCC1(C)COC1 ZINC000824853895 587290511 /nfs/dbraw/zinc/29/05/11/587290511.db2.gz DYKFPPOSSQMETC-MRVPVSSYSA-N -1 0 244.291 0.385 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCC(C)(C)O ZINC000824855414 587290792 /nfs/dbraw/zinc/29/07/92/587290792.db2.gz RIQOTPXOZSLSKS-SSDOTTSWSA-N -1 0 232.280 0.119 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCC(F)F ZINC000824855419 587290842 /nfs/dbraw/zinc/29/08/42/587290842.db2.gz RMLYHEPTLDALPW-YFKPBYRVSA-N -1 0 224.207 0.614 20 0 BCADRM 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587357194 /nfs/dbraw/zinc/35/71/94/587357194.db2.gz OUMGTGZYJAKISK-UHFFFAOYSA-N -1 0 224.216 0.420 20 0 BCADRM CC(C)=C(C)C(=O)OCC(=O)NCCC(=O)[O-] ZINC000826642220 587357386 /nfs/dbraw/zinc/35/73/86/587357386.db2.gz SJZGDZUZFFNQPR-UHFFFAOYSA-N -1 0 243.259 0.477 20 0 BCADRM CCC1(CNC(=O)NCCNC(=O)[O-])CC1 ZINC000826654281 587357856 /nfs/dbraw/zinc/35/78/56/587357856.db2.gz QAIRXPXBDUHJNS-UHFFFAOYSA-N -1 0 229.280 0.743 20 0 BCADRM CCC1(CNC(=O)COCCNC(=O)[O-])CC1 ZINC000826650414 587357880 /nfs/dbraw/zinc/35/78/80/587357880.db2.gz SETBRJWATOATJS-UHFFFAOYSA-N -1 0 244.291 0.577 20 0 BCADRM CCC1(CNC(=O)CCNC(=O)[O-])CC1 ZINC000826650647 587357904 /nfs/dbraw/zinc/35/79/04/587357904.db2.gz UGCQZVPCCAPYAS-UHFFFAOYSA-N -1 0 214.265 0.951 20 0 BCADRM CCC1(CNC(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000826654430 587357937 /nfs/dbraw/zinc/35/79/37/587357937.db2.gz SLOZNTYPUHDYQL-UHFFFAOYSA-N -1 0 241.291 0.838 20 0 BCADRM CC[C@H]1CN(C(=O)C[C@@H](C)NC(=O)[O-])CCO1 ZINC000826682738 587359026 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587359661 /nfs/dbraw/zinc/35/96/61/587359661.db2.gz VTHAOWWCMCTWFK-BDAKNGLRSA-N -1 0 244.291 0.670 20 0 BCADRM CC(C)[C@@H](NC(=O)c1cc(CO)on1)C(=O)[O-] ZINC000826710266 587359726 /nfs/dbraw/zinc/35/97/26/587359726.db2.gz DOVKLACNUUIZNL-MRVPVSSYSA-N -1 0 242.231 0.006 20 0 BCADRM CCC[C@@](C)(NCCNC(=O)[O-])C(=O)OC ZINC000826730184 587360237 /nfs/dbraw/zinc/36/02/37/587360237.db2.gz XSNVOGDJBUWAEE-SNVBAGLBSA-N -1 0 232.280 0.575 20 0 BCADRM CCC[C@](C)(O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000826728303 587360249 /nfs/dbraw/zinc/36/02/49/587360249.db2.gz LUVQCBOWJLHSLM-KCJUWKMLSA-N -1 0 244.291 0.406 20 0 BCADRM CCC[C@H](C)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000826733382 587360430 /nfs/dbraw/zinc/36/04/30/587360430.db2.gz BRAGUAUGMZWNDE-DJLDLDEBSA-N -1 0 244.291 0.404 20 0 BCADRM CCC[C@@H](C)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826734779 587360520 /nfs/dbraw/zinc/36/05/20/587360520.db2.gz KXLAXGITDKZFLS-RKDXNWHRSA-N -1 0 244.291 0.670 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)N(C)CC[C@@H](C)O 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/nfs/dbraw/zinc/46/42/24/587464224.db2.gz JWFHWBWMCFFCNX-WDSKDSINSA-N -1 0 205.210 0.221 20 0 BCADRM CO[C@@H](C)CCOC(=O)C1(NC(=O)[O-])CC1 ZINC000828823677 587464269 /nfs/dbraw/zinc/46/42/69/587464269.db2.gz GPTNMKVBHMXSJY-ZETCQYMHSA-N -1 0 231.248 0.755 20 0 BCADRM CO[C@H](C)C(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828823461 587464310 /nfs/dbraw/zinc/46/43/10/587464310.db2.gz BGMNYSKPWMIABK-HTQZYQBOSA-N -1 0 230.264 0.232 20 0 BCADRM CO[C@@H](C)COC(=O)C(C)(C)NC(=O)[O-] ZINC000828823875 587464432 /nfs/dbraw/zinc/46/44/32/587464432.db2.gz JZPYIFDSUQQKEA-LURJTMIESA-N -1 0 219.237 0.611 20 0 BCADRM CO[C@@H](C)C(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000828824121 587464647 /nfs/dbraw/zinc/46/46/47/587464647.db2.gz OPNVVVRAMXTNBE-YUMQZZPRSA-N -1 0 230.264 0.280 20 0 BCADRM CO[C@@H](C)CCNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828825087 587464682 /nfs/dbraw/zinc/46/46/82/587464682.db2.gz XFKZFSFHSQQBOW-BDAKNGLRSA-N -1 0 246.307 0.774 20 0 BCADRM CO[C@H](C)CCNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828825091 587464766 /nfs/dbraw/zinc/46/47/66/587464766.db2.gz XFKZFSFHSQQBOW-RKDXNWHRSA-N -1 0 246.307 0.774 20 0 BCADRM CO[C@H](C)COC(=O)CCCNC(=O)[O-] ZINC000828831203 587465079 /nfs/dbraw/zinc/46/50/79/587465079.db2.gz QGUVQWCUIQEZAN-SSDOTTSWSA-N -1 0 219.237 0.612 20 0 BCADRM CO[C@@H](C)COC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000828829872 587465169 /nfs/dbraw/zinc/46/51/69/587465169.db2.gz HKIGIUNSMZKLFD-YUMQZZPRSA-N -1 0 231.248 0.707 20 0 BCADRM CO[C@@H](CNC(=O)[C@@H](C)NC(=O)[O-])C(C)C ZINC000828837288 587465230 /nfs/dbraw/zinc/46/52/30/587465230.db2.gz WSDQLKZUFVAWRQ-SFYZADRCSA-N -1 0 232.280 0.430 20 0 BCADRM CO[C@H](C)COC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828830086 587465238 /nfs/dbraw/zinc/46/52/38/587465238.db2.gz IOAVOYFNDILFNS-HTQZYQBOSA-N -1 0 231.248 0.564 20 0 BCADRM CO[C@H](C)COC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000828829869 587465261 /nfs/dbraw/zinc/46/52/61/587465261.db2.gz HKIGIUNSMZKLFD-HTQZYQBOSA-N -1 0 231.248 0.707 20 0 BCADRM CO[C@@H](CNC(=O)C(C)(C)NC(=O)[O-])C(C)C ZINC000828836477 587465830 /nfs/dbraw/zinc/46/58/30/587465830.db2.gz PAUGFYWPSQSMTC-QMMMGPOBSA-N -1 0 246.307 0.820 20 0 BCADRM CCC(CC)CC(=O)OCC(=O)NCC(=O)[O-] ZINC000828858973 587466994 /nfs/dbraw/zinc/46/69/94/587466994.db2.gz JYASSVGEUJYEAJ-UHFFFAOYSA-N -1 0 245.275 0.557 20 0 BCADRM CO[C@H]1C[C@H](NC(=O)[C@H](C)NC(=O)[O-])C1(C)C ZINC000828873225 587467820 /nfs/dbraw/zinc/46/78/20/587467820.db2.gz ACSUQQRFVWXYPY-FXQIFTODSA-N -1 0 244.291 0.572 20 0 BCADRM COCC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000828880068 587467969 /nfs/dbraw/zinc/46/79/69/587467969.db2.gz GAMRBZBJBBZSMG-SECBINFHSA-N -1 0 246.307 0.774 20 0 BCADRM CC[C@@H](CCO)NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000828879359 587468098 /nfs/dbraw/zinc/46/80/98/587468098.db2.gz LHJPWBFNBJDSPK-IUCAKERBSA-N -1 0 246.307 0.556 20 0 BCADRM COC1CN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000828880558 587468127 /nfs/dbraw/zinc/46/81/27/587468127.db2.gz LNNFSDSOWLMOAZ-JGVFFNPUSA-N -1 0 242.275 0.280 20 0 BCADRM CO[C@H]1CCCN(C(=O)C[C@@H](C)NC(=O)[O-])C1 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ZINC000828897061 587469309 /nfs/dbraw/zinc/46/93/09/587469309.db2.gz OIVBXYUMICRJPD-RQJHMYQMSA-N -1 0 219.237 0.468 20 0 BCADRM COC[C@H](C)CC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000828895769 587469318 /nfs/dbraw/zinc/46/93/18/587469318.db2.gz AROBDSMYJFVHBO-RKDXNWHRSA-N -1 0 244.291 0.528 20 0 BCADRM COC[C@@H](C)CNC(=O)C1(NC(=O)[O-])CC1 ZINC000828896768 587469358 /nfs/dbraw/zinc/46/93/58/587469358.db2.gz LRWIBQVXGIKABA-ZETCQYMHSA-N -1 0 230.264 0.185 20 0 BCADRM COC[C@H](C)NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828903208 587470313 /nfs/dbraw/zinc/47/03/13/587470313.db2.gz KXTGKDQLGOLTQM-OIBJUYFYSA-N -1 0 248.254 0.230 20 0 BCADRM COC[C@@H](C)NC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828903210 587470350 /nfs/dbraw/zinc/47/03/50/587470350.db2.gz KXTGKDQLGOLTQM-XCBNKYQSSA-N -1 0 248.254 0.230 20 0 BCADRM COC[C@H](C)NC(=O)NC(C)(C)CNC(=O)[O-] ZINC000828902289 587470403 /nfs/dbraw/zinc/47/04/03/587470403.db2.gz CVCYBRKJTLQSPE-ZETCQYMHSA-N -1 0 247.295 0.367 20 0 BCADRM COC[C@H](C)NC(=O)NCC(C)(C)NC(=O)[O-] ZINC000828903024 587470441 /nfs/dbraw/zinc/47/04/41/587470441.db2.gz JZFJKMCWJRMYIM-ZETCQYMHSA-N -1 0 247.295 0.367 20 0 BCADRM COC[C@H](C)OC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828903878 587470442 /nfs/dbraw/zinc/47/04/42/587470442.db2.gz QOXWSNOXMONZLE-XVKPBYJWSA-N -1 0 249.238 0.657 20 0 BCADRM COC[C@H](C)NC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828903704 587470576 /nfs/dbraw/zinc/47/05/76/587470576.db2.gz PQGMEORHIKAZIB-SFYZADRCSA-N -1 0 232.280 0.383 20 0 BCADRM COC[C@@H](C)OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828903875 587470588 /nfs/dbraw/zinc/47/05/88/587470588.db2.gz QOXWSNOXMONZLE-GMSGAONNSA-N -1 0 249.238 0.657 20 0 BCADRM COC[C@@H](C)NC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000828903703 587470620 /nfs/dbraw/zinc/47/06/20/587470620.db2.gz PQGMEORHIKAZIB-JGVFFNPUSA-N -1 0 232.280 0.383 20 0 BCADRM COC[C@@H](C)NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828902770 587470656 /nfs/dbraw/zinc/47/06/56/587470656.db2.gz GZDKHVWILYPTTP-RKDXNWHRSA-N -1 0 244.291 0.670 20 0 BCADRM COC[C@H](C)NC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000828903705 587470734 /nfs/dbraw/zinc/47/07/34/587470734.db2.gz PQGMEORHIKAZIB-YUMQZZPRSA-N -1 0 232.280 0.383 20 0 BCADRM COC[C@@H](C)NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000828904925 587470973 /nfs/dbraw/zinc/47/09/73/587470973.db2.gz YNTFCZAKJGAQDT-RNFRBKRXSA-N -1 0 218.253 0.184 20 0 BCADRM CCC[C@@H](OCC)C(=O)[N-]S(C)(=O)=O ZINC000860447571 589101318 /nfs/dbraw/zinc/10/13/18/589101318.db2.gz QUJTVKNDLRLKMM-SSDOTTSWSA-N -1 0 223.294 0.267 20 0 BCADRM COCC1(NC(=O)CCCNC(=O)[O-])CC1 ZINC000828920276 587472139 /nfs/dbraw/zinc/47/21/39/587472139.db2.gz IEEQUBKWAFSDDA-UHFFFAOYSA-N -1 0 230.264 0.329 20 0 BCADRM COCCC(=O)COC(=O)C(C)(C)NC(=O)[O-] ZINC000828927862 587472848 /nfs/dbraw/zinc/47/28/48/587472848.db2.gz ABPUKWCZYQQQCY-UHFFFAOYSA-N -1 0 247.247 0.181 20 0 BCADRM CC[C@H](NC(=O)CN1CCSC1=O)C(=O)[O-] ZINC000828933152 587472902 /nfs/dbraw/zinc/47/29/02/587472902.db2.gz OMUSENMKYIUFAS-LURJTMIESA-N -1 0 246.288 0.135 20 0 BCADRM COCCC(C)(C)NC(=O)CNC(=O)[O-] ZINC000828934243 587473206 /nfs/dbraw/zinc/47/32/06/587473206.db2.gz MEARYEGITGFXCR-UHFFFAOYSA-N -1 0 218.253 0.185 20 0 BCADRM COCCCNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828950754 587474330 /nfs/dbraw/zinc/47/43/30/587474330.db2.gz RPESAKMHORIDFN-VIFPVBQESA-N -1 0 244.291 0.672 20 0 BCADRM COCCCCNC(=O)NC1CN(C(=O)[O-])C1 ZINC000828944911 587474338 /nfs/dbraw/zinc/47/43/38/587474338.db2.gz KDGRVEAAQZHIAJ-UHFFFAOYSA-N -1 0 245.279 0.074 20 0 BCADRM COCCCNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828950530 587474965 /nfs/dbraw/zinc/47/49/65/587474965.db2.gz LLHXWJCPPKFRJW-SNVBAGLBSA-N -1 0 248.254 0.231 20 0 BCADRM COCCN(C)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828964037 587475854 /nfs/dbraw/zinc/47/58/54/587475854.db2.gz JMCFVAQNSXDFHY-JTQLQIEISA-N -1 0 248.254 0.183 20 0 BCADRM COCCN(C)C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828964010 587475906 /nfs/dbraw/zinc/47/59/06/587475906.db2.gz JCJBASQFSYUXEA-SECBINFHSA-N -1 0 244.291 0.624 20 0 BCADRM CCC(O)(CC)CNC(=O)[C@@H](C)CC(=O)[O-] ZINC000828999236 587478420 /nfs/dbraw/zinc/47/84/20/587478420.db2.gz VMOQUEIVPIXMFE-QMMMGPOBSA-N -1 0 231.292 0.765 20 0 BCADRM CC[C@@H](O)CCNC(=O)[C@H](C)CC(=O)[O-] ZINC000828999217 587478452 /nfs/dbraw/zinc/47/84/52/587478452.db2.gz ULOOCLPGQGQIEM-HTQZYQBOSA-N -1 0 217.265 0.374 20 0 BCADRM COCCONC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000829007773 587478872 /nfs/dbraw/zinc/47/88/72/587478872.db2.gz OGYJVJIAAFHWIH-SFYZADRCSA-N -1 0 246.263 0.117 20 0 BCADRM CCC1(C(=O)N2CCC[C@H]2CC(=O)[O-])COC1 ZINC000829033092 587480158 /nfs/dbraw/zinc/48/01/58/587480158.db2.gz JTIVDQGZKGCLBP-VIFPVBQESA-N -1 0 241.287 0.879 20 0 BCADRM COCc1ccc(CNC2CN(C(=O)[O-])C2)o1 ZINC000829040506 587480904 /nfs/dbraw/zinc/48/09/04/587480904.db2.gz NEQJTYQZSRENQM-UHFFFAOYSA-N -1 0 240.259 0.878 20 0 BCADRM CO[C@@H]1CCN(C(=O)NCCCNC(=O)[O-])C1 ZINC000829061606 587481075 /nfs/dbraw/zinc/48/10/75/587481075.db2.gz PZXZBWXKFVNXSY-MRVPVSSYSA-N -1 0 245.279 0.074 20 0 BCADRM CONC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000829060685 587481410 /nfs/dbraw/zinc/48/14/10/587481410.db2.gz CEEPANMUMXDHCW-ZCFIWIBFSA-N -1 0 202.210 0.197 20 0 BCADRM CCC/C=C/C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000829266954 587490990 /nfs/dbraw/zinc/49/09/90/587490990.db2.gz NPLHRYYLHFZKGP-MOVJSRMASA-N -1 0 227.260 0.655 20 0 BCADRM CCCCC[C@H](NS(=O)(=O)CC)C(=O)[O-] ZINC000829339055 587493235 /nfs/dbraw/zinc/49/32/35/587493235.db2.gz BGSOKWVLYGKZQW-QMMMGPOBSA-N -1 0 237.321 0.959 20 0 BCADRM CCCCOC(=O)[C@H](C)OC(=O)CNC(=O)[O-] ZINC000829402610 587495734 /nfs/dbraw/zinc/49/57/34/587495734.db2.gz YSWIGGAVWADNGX-ZETCQYMHSA-N -1 0 247.247 0.529 20 0 BCADRM O=C(c1cccc(F)c1[O-])N1C[C@H]2C[C@@]2(O)C1 ZINC000829406303 587496422 /nfs/dbraw/zinc/49/64/22/587496422.db2.gz CWLSHTSZLMAUBM-JMCQJSRRSA-N -1 0 237.230 0.738 20 0 BCADRM COc1ccc(NC(=O)CNC(=O)[O-])c(C)n1 ZINC000829453861 587498243 /nfs/dbraw/zinc/49/82/43/587498243.db2.gz KOFXQIHWNJPKGB-UHFFFAOYSA-N -1 0 239.231 0.605 20 0 BCADRM 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603230046 /nfs/dbraw/zinc/23/00/46/603230046.db2.gz MDTQHTZSWFETLO-BDAKNGLRSA-N -1 0 244.291 0.575 20 0 BCADRM CCONC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739487340 603235124 /nfs/dbraw/zinc/23/51/24/603235124.db2.gz PEIQUABHBUFBBT-JGVFFNPUSA-N -1 0 230.264 0.881 20 0 BCADRM O=C([O-])N1CC[C@@H](C(=O)Nc2cnoc2)C1 ZINC000740476234 603236360 /nfs/dbraw/zinc/23/63/60/603236360.db2.gz FNTIHUXEXFSVQD-ZCFIWIBFSA-N -1 0 225.204 0.613 20 0 BCADRM Cc1nonc1CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000740267551 603236482 /nfs/dbraw/zinc/23/64/82/603236482.db2.gz PVUIQLKSKQLKFP-QMMMGPOBSA-N -1 0 240.263 0.468 20 0 BCADRM CN(CCCNC(=O)[O-])C(=O)c1cc[nH]c1 ZINC000739675155 603238029 /nfs/dbraw/zinc/23/80/29/603238029.db2.gz PBYQEKYRLBAUIK-UHFFFAOYSA-N -1 0 225.248 0.744 20 0 BCADRM CN(CCCNC(=O)[O-])C(=O)c1csnn1 ZINC000739676539 603238066 /nfs/dbraw/zinc/23/80/66/603238066.db2.gz NUGQFGNMTIQKGE-UHFFFAOYSA-N -1 0 244.276 0.268 20 0 BCADRM Cc1nonc1CN(C)CCCNC(=O)[O-] ZINC000740266803 603253187 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603342386 /nfs/dbraw/zinc/34/23/86/603342386.db2.gz LGNWYQANRBHKLO-DTWKUNHWSA-N -1 0 244.291 0.670 20 0 BCADRM CCOC(=O)CN(C)[C@@H](C)CNC(=O)[O-] ZINC000739476248 603343491 /nfs/dbraw/zinc/34/34/91/603343491.db2.gz QCNRJDHUYUQEOS-ZETCQYMHSA-N -1 0 218.253 0.137 20 0 BCADRM COC(=O)CN[C@](C)(CNC(=O)[O-])C(C)C ZINC000739760517 603345021 /nfs/dbraw/zinc/34/50/21/603345021.db2.gz FXNSCYVNSSRFPO-SNVBAGLBSA-N -1 0 232.280 0.431 20 0 BCADRM COC(=O)[C@@H](C)N(C)CCCNC(=O)[O-] ZINC000739760766 603348364 /nfs/dbraw/zinc/34/83/64/603348364.db2.gz VAYUGCFAYLDVTR-SSDOTTSWSA-N -1 0 218.253 0.137 20 0 BCADRM CC(=O)CCN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000738510878 603352783 /nfs/dbraw/zinc/35/27/83/603352783.db2.gz HVCWZHOEUVXSDJ-QMMMGPOBSA-N -1 0 214.265 0.650 20 0 BCADRM C[C@H]1CN(Cc2ccno2)CCN1C(=O)[O-] ZINC000739186060 603353973 /nfs/dbraw/zinc/35/39/73/603353973.db2.gz DMFBATZDNFUJCF-QMMMGPOBSA-N -1 0 225.248 0.859 20 0 BCADRM COC(=O)[C@@H](C)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739757146 603355958 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20 0 BCADRM C[C@@H](CCO)CNC(=O)C1(C(=O)[O-])CCC1 ZINC000911401359 639637386 /nfs/dbraw/zinc/63/73/86/639637386.db2.gz HBMBYUSOLSQHDC-QMMMGPOBSA-N -1 0 229.276 0.376 20 0 BCADRM CC(C)[C@@H](C(=O)[O-])C(=O)NC(C)(C)[C@H](C)O ZINC000911399697 639637493 /nfs/dbraw/zinc/63/74/93/639637493.db2.gz SRENXJVFNQERKD-JGVFFNPUSA-N -1 0 231.292 0.619 20 0 BCADRM C[C@@H](O)C[C@H](C)NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000911401489 639637498 /nfs/dbraw/zinc/63/74/98/639637498.db2.gz RDHKGDGHBZZZEE-AWFQZAGUSA-N -1 0 241.287 0.517 20 0 BCADRM C[C@H](CCO)CNC(=O)c1cc(C(=O)[O-])co1 ZINC000911401620 639638980 /nfs/dbraw/zinc/63/89/80/639638980.db2.gz LTTMOCZMTFNDQN-SSDOTTSWSA-N -1 0 241.243 0.726 20 0 BCADRM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@H](C)CCO ZINC000911401684 639639279 /nfs/dbraw/zinc/63/92/79/639639279.db2.gz MWKVSPHYYODSPA-RKDXNWHRSA-N -1 0 231.292 0.478 20 0 BCADRM CC(C)[C@H](O)CNC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000911404725 639639701 /nfs/dbraw/zinc/63/97/01/639639701.db2.gz GAFGMUKUZFDZHR-HUUUCTMMSA-N 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O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)C1CC=CC1 ZINC000911639431 639679850 /nfs/dbraw/zinc/67/98/50/639679850.db2.gz PQTMNEVXQCRXMU-VHSXEESVSA-N -1 0 239.271 0.389 20 0 BCADRM CC(C)[C@H](C(=O)[O-])C(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000911618350 639681133 /nfs/dbraw/zinc/68/11/33/639681133.db2.gz GCXHSQSQCCWTPF-BDAKNGLRSA-N -1 0 243.303 0.573 20 0 BCADRM CC(C)(CO)CCNC(=O)C1(C(=O)[O-])CCC1 ZINC000911645939 639682661 /nfs/dbraw/zinc/68/26/61/639682661.db2.gz PAHJYVVTHNNYGD-UHFFFAOYSA-N -1 0 243.303 0.766 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)NCCC(C)(C)CO ZINC000911646211 639687529 /nfs/dbraw/zinc/68/75/29/639687529.db2.gz SLSLBNYVEJHGLF-QMMMGPOBSA-N -1 0 231.292 0.622 20 0 BCADRM CC/C(C)=C/C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC000911631782 639691476 /nfs/dbraw/zinc/69/14/76/639691476.db2.gz RVABXJXEBIOZEJ-QARYBLBWSA-N -1 0 241.287 0.779 20 0 BCADRM CC[C@@H]1C[C@H]1C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC000911630701 639691655 /nfs/dbraw/zinc/69/16/55/639691655.db2.gz KAEJSMYGVVQCRL-DOLQZWNJSA-N -1 0 241.287 0.469 20 0 BCADRM CC[C@@H]1[C@@H](CO)CCN1C(=O)[C@H](C)CC(=O)[O-] ZINC000911664116 639695080 /nfs/dbraw/zinc/69/50/80/639695080.db2.gz JNNGIJQQLUYOKR-OPRDCNLKSA-N -1 0 243.303 0.717 20 0 BCADRM CN(CC1(O)CCC1)C(=O)CCCC(=O)[O-] ZINC000911669384 639697074 /nfs/dbraw/zinc/69/70/74/639697074.db2.gz IJDSBUMEQCDNEF-UHFFFAOYSA-N -1 0 229.276 0.615 20 0 BCADRM C[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)c1cn[nH]c1 ZINC000911649391 639703507 /nfs/dbraw/zinc/70/35/07/639703507.db2.gz PDSFXPORMKZKNX-PUVKNVPGSA-N -1 0 249.270 0.842 20 0 BCADRM C[C@@H](CO)CCCNC(=O)C1(C(=O)[O-])CC1 ZINC000911649264 639705724 /nfs/dbraw/zinc/70/57/24/639705724.db2.gz OQDZQCCZFDXSOG-MRVPVSSYSA-N -1 0 229.276 0.376 20 0 BCADRM CC(C)[C@H](C(=O)[O-])C(=O)NCCC[C@@H](C)CO ZINC000911651079 639707380 /nfs/dbraw/zinc/70/73/80/639707380.db2.gz UVNBDXSQYSDVQK-ZJUUUORDSA-N -1 0 245.319 0.868 20 0 BCADRM C[C@H](CC(=O)[O-])CC(=O)N(C)Cc1ncon1 ZINC000911653480 639710758 /nfs/dbraw/zinc/71/07/58/639710758.db2.gz 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243.303 0.981 20 0 BCADRM CCC[C@H](OC)C(=O)N[C@@H](CCOC)C(=O)[O-] ZINC000909627219 711786433 /nfs/dbraw/zinc/78/64/33/711786433.db2.gz QFJLTMAPNWGVPL-IUCAKERBSA-N -1 0 247.291 0.407 20 0 BCADRM COCC[C@@H](NC(=O)Cc1ccoc1)C(=O)[O-] ZINC000909623251 711786444 /nfs/dbraw/zinc/78/64/44/711786444.db2.gz ABVGTZOVVINVMX-SECBINFHSA-N -1 0 241.243 0.428 20 0 BCADRM C[C@H]1OCC[C@@H]1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000138513147 711799158 /nfs/dbraw/zinc/79/91/58/711799158.db2.gz GAWRDUHBYYESPM-BDAKNGLRSA-N -1 0 241.287 0.783 20 0 BCADRM COCC[C@H](NC(=O)NC[C@H]1C[C@@H]1C)C(=O)[O-] ZINC000159770961 711804955 /nfs/dbraw/zinc/80/49/55/711804955.db2.gz OTSLGMQMUACEIE-YIZRAAEISA-N -1 0 244.291 0.431 20 0 BCADRM C#CC[C@@H](NC(=O)c1coc(C)c1)C(=O)[O-] ZINC000161406231 711811720 /nfs/dbraw/zinc/81/17/20/711811720.db2.gz LJWZWNYMIONNSM-SECBINFHSA-N -1 0 221.212 0.794 20 0 BCADRM C#CC[C@H](NC(=O)c1coc(C)c1)C(=O)[O-] ZINC000161406090 711811866 /nfs/dbraw/zinc/81/18/66/711811866.db2.gz LJWZWNYMIONNSM-VIFPVBQESA-N 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COC(=O)C1CCN(C(=O)[C@H](C)C(=O)[O-])CC1 ZINC000229327360 259639969 /nfs/dbraw/zinc/63/99/69/259639969.db2.gz FNYVRYZMDMSEHS-ZETCQYMHSA-N -1 0 243.259 0.119 20 0 BCADRM Cc1noc(C)c1CC(=O)N(C)CC(=O)[O-] ZINC000035096043 383827456 /nfs/dbraw/zinc/82/74/56/383827456.db2.gz XACUPCODEGELKP-UHFFFAOYSA-N -1 0 226.232 0.377 20 0 BCADRM CC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000111060408 383826762 /nfs/dbraw/zinc/82/67/62/383826762.db2.gz YZTRKHODIBNCLS-NSHDSACASA-N -1 0 235.239 0.883 20 0 BCADRM CC(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000048515156 383854442 /nfs/dbraw/zinc/85/44/42/383854442.db2.gz BWXJURAIUBDALF-UHFFFAOYSA-N -1 0 219.287 0.881 20 0 BCADRM C[S@@](=O)CCCNc1ncc(C(=O)[O-])cn1 ZINC000309389353 383866799 /nfs/dbraw/zinc/86/67/99/383866799.db2.gz FCVUHMNZAATIPN-MRXNPFEDSA-N -1 0 243.288 0.355 20 0 BCADRM Cn1ncnc1CN(CC(=O)[O-])c1ccccc1 ZINC000088580741 383911079 /nfs/dbraw/zinc/91/10/79/383911079.db2.gz JLMHVHVCRNNFOA-UHFFFAOYSA-N -1 0 246.270 0.906 20 0 BCADRM CC[C@@H](NC(=O)Cn1nc(C)cc1C)C(=O)[O-] ZINC000036869036 383912886 /nfs/dbraw/zinc/91/28/86/383912886.db2.gz DRQDSAHBCHEMJG-SECBINFHSA-N -1 0 239.275 0.479 20 0 BCADRM C[C@@H](NC(=O)COCc1ccccc1)C(=O)[O-] ZINC000036966216 383924388 /nfs/dbraw/zinc/92/43/88/383924388.db2.gz UBPVNNNOYGCZEL-SECBINFHSA-N -1 0 237.255 0.793 20 0 BCADRM CCc1cc(CNC(=O)[C@@H](C)C(=O)[O-])on1 ZINC000647151331 383928650 /nfs/dbraw/zinc/92/86/50/383928650.db2.gz CEEVPZLKRRTQLH-ZCFIWIBFSA-N -1 0 226.232 0.574 20 0 BCADRM CCCCNC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000049281002 383883312 /nfs/dbraw/zinc/88/33/12/383883312.db2.gz CTOUFUFUJXOGDZ-SECBINFHSA-N -1 0 228.292 0.452 20 0 BCADRM CC(C)[C@H](CCO)Nc1ncc(C(=O)[O-])cn1 ZINC000310159980 383887306 /nfs/dbraw/zinc/88/73/06/383887306.db2.gz PRHBAWDROCGHJQ-VIFPVBQESA-N -1 0 239.275 0.994 20 0 BCADRM O=C([O-])CCNC(=O)/C=C\c1ccncc1 ZINC000309342068 383892565 /nfs/dbraw/zinc/89/25/65/383892565.db2.gz KPNVQBLSNCVXIF-UPHRSURJSA-N -1 0 220.228 0.686 20 0 BCADRM Cc1nc(=NC(=O)[C@H](C)c2cncnc2)s[n-]1 ZINC000646876182 383894657 /nfs/dbraw/zinc/89/46/57/383894657.db2.gz ZZKNGIGUVLHIAM-ZCFIWIBFSA-N -1 0 249.299 0.801 20 0 BCADRM CC[C@@H]1CN(C(=O)CCC(=O)[O-])C[C@@H](C)O1 ZINC000569361834 383905151 /nfs/dbraw/zinc/90/51/51/383905151.db2.gz VTDFTWTXVNRKLW-RKDXNWHRSA-N -1 0 229.276 0.877 20 0 BCADRM COC(=O)c1coc(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000518533124 383986236 /nfs/dbraw/zinc/98/62/36/383986236.db2.gz QBSGDPNOUOLVFE-YFKPBYRVSA-N -1 0 241.199 0.269 20 0 BCADRM O=C([O-])CNC(=O)CCc1ccccn1 ZINC000071510945 383998579 /nfs/dbraw/zinc/99/85/79/383998579.db2.gz AXKZQTPUTRHXEM-UHFFFAOYSA-N -1 0 208.217 0.215 20 0 BCADRM CCC[C@@H](NS(=O)(=O)C1CC1)C(=O)[O-] ZINC000070907797 383955703 /nfs/dbraw/zinc/95/57/03/383955703.db2.gz JKNAHVJBYNTLPN-SSDOTTSWSA-N -1 0 221.278 0.322 20 0 BCADRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)C1CC1 ZINC000070907822 383956786 /nfs/dbraw/zinc/95/67/86/383956786.db2.gz FOTKVEJZRBVWLQ-SSDOTTSWSA-N -1 0 235.305 0.664 20 0 BCADRM 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ZINC000037926959 384041438 /nfs/dbraw/zinc/04/14/38/384041438.db2.gz VSMVLJRGDRCAPP-LBPRGKRZSA-N -1 0 249.266 0.891 20 0 BCADRM Cn1[n-]nnc1=N[C@H]1CCc2c1cccc2F ZINC000518594312 384058361 /nfs/dbraw/zinc/05/83/61/384058361.db2.gz XPFACJXUAXWYSW-JTQLQIEISA-N -1 0 233.250 0.871 20 0 BCADRM O=C([O-])[C@H]1CCCCN1C(=O)C[C@H]1CCOC1 ZINC000360817682 384061490 /nfs/dbraw/zinc/06/14/90/384061490.db2.gz KRWXNHCOCVOWIH-NXEZZACHSA-N -1 0 241.287 0.879 20 0 BCADRM C[C@@H](CNC(=O)[C@@H]1COc2ccccc21)C(=O)[O-] ZINC000070391202 384104094 /nfs/dbraw/zinc/10/40/94/384104094.db2.gz XFWPTTSBQRJTGS-WCBMZHEXSA-N -1 0 249.266 1.000 20 0 BCADRM C[C@H](CNC(=O)[C@H]1COc2ccccc21)C(=O)[O-] ZINC000070391205 384104645 /nfs/dbraw/zinc/10/46/45/384104645.db2.gz XFWPTTSBQRJTGS-SCZZXKLOSA-N -1 0 249.266 1.000 20 0 BCADRM C[C@H]1OCC[C@@H]1NC(=O)NCCCCC(=O)[O-] ZINC000156590667 384110657 /nfs/dbraw/zinc/11/06/57/384110657.db2.gz RIZRMXCCYMFIID-BDAKNGLRSA-N -1 0 244.291 0.718 20 0 BCADRM COC1CCC(C)(CN=c2nn[n-]n2C)CC1 ZINC000530481995 384120468 /nfs/dbraw/zinc/12/04/68/384120468.db2.gz AANJQIMAUDGRQF-UHFFFAOYSA-N -1 0 239.323 0.639 20 0 BCADRM CC(C)[C@H](C(=O)[O-])C(=O)N(C)C[C@@H]1CCOC1 ZINC000564978443 384151042 /nfs/dbraw/zinc/15/10/42/384151042.db2.gz MCUJACHKVWNODL-UWVGGRQHSA-N -1 0 243.303 0.838 20 0 BCADRM CC(=O)N1CCc2c1cccc2NC(=O)C(=O)[O-] ZINC000558546107 384141106 /nfs/dbraw/zinc/14/11/06/384141106.db2.gz FFOODOUBAYJUJN-UHFFFAOYSA-N -1 0 248.238 0.619 20 0 BCADRM COC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000071565046 384172053 /nfs/dbraw/zinc/17/20/53/384172053.db2.gz SVKGNOCMLSHNDO-UHFFFAOYSA-N -1 0 230.245 0.240 20 0 BCADRM CC(C)[C@@](C)(O)CNS(=O)(=O)c1ccco1 ZINC000188712471 384161738 /nfs/dbraw/zinc/16/17/38/384161738.db2.gz NGYROKHKXMJHNN-JTQLQIEISA-N -1 0 247.316 0.965 20 0 BCADRM CC(C)[C@@H](O)CNC(=O)c1c(O)cccc1O ZINC000092125480 384164153 /nfs/dbraw/zinc/16/41/53/384164153.db2.gz MVJNXNVIEWKYQQ-JTQLQIEISA-N -1 0 239.271 0.845 20 0 BCADRM CC[C@@H](CCO)NC(=O)c1c(O)cccc1O ZINC000092125669 384164720 /nfs/dbraw/zinc/16/47/20/384164720.db2.gz WJTAGVHXSFBHSM-QMMMGPOBSA-N -1 0 239.271 0.989 20 0 BCADRM CC[C@H](CCO)NC(=O)c1c(O)cccc1O ZINC000092125671 384164974 /nfs/dbraw/zinc/16/49/74/384164974.db2.gz WJTAGVHXSFBHSM-MRVPVSSYSA-N -1 0 239.271 0.989 20 0 BCADRM CCCS(=O)(=O)NCC[C@H](CC)C(=O)[O-] ZINC000560492814 384168890 /nfs/dbraw/zinc/16/88/90/384168890.db2.gz DWXPDKHFAKAZMH-QMMMGPOBSA-N -1 0 237.321 0.817 20 0 BCADRM Cc1noc(C)c1C(=O)NC(C)(C)C(=O)[O-] ZINC000040909583 384170030 /nfs/dbraw/zinc/17/00/30/384170030.db2.gz MVDRAAIECNYBIQ-UHFFFAOYSA-N -1 0 226.232 0.884 20 0 BCADRM C[C@@]1(C(=O)[O-])CCCC[C@H]1NS(C)(=O)=O ZINC000135575491 384184623 /nfs/dbraw/zinc/18/46/23/384184623.db2.gz IOZRMTZLZHUFSY-VXNVDRBHSA-N -1 0 235.305 0.569 20 0 BCADRM O=c1[n-]c(CN(CCO)Cc2ccccc2)n[nH]1 ZINC000092618514 384185614 /nfs/dbraw/zinc/18/56/14/384185614.db2.gz SBXPBSGRLNYITB-UHFFFAOYSA-N -1 0 248.286 0.093 20 0 BCADRM C[C@]1(C(=O)[O-])CCCC[C@H]1NS(C)(=O)=O ZINC000135575470 384183991 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C[C@H](CNC(=O)N[C@@H]1CCCOCC1)C(=O)[O-] ZINC000310358535 411235300 /nfs/dbraw/zinc/23/53/00/411235300.db2.gz SRZSMRWKQMGPKD-RKDXNWHRSA-N -1 0 244.291 0.575 20 0 BCADRM C[C@@H](O)[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC000310437912 411237584 /nfs/dbraw/zinc/23/75/84/411237584.db2.gz VAYQVLXGNRGXFP-SFYZADRCSA-N -1 0 237.259 0.382 20 0 BCADRM CC(C)(CO)CNc1ncc(C(=O)[O-])cn1 ZINC000309402214 411241758 /nfs/dbraw/zinc/24/17/58/411241758.db2.gz HNBVEKOKRULXSD-UHFFFAOYSA-N -1 0 225.248 0.605 20 0 BCADRM CCN(C(=O)[C@@H](C)C(=O)[O-])c1cnn(C)c1 ZINC000655589387 411165176 /nfs/dbraw/zinc/16/51/76/411165176.db2.gz QASJNWTXNJINEY-SSDOTTSWSA-N -1 0 225.248 0.494 20 0 BCADRM CCC[C@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655974355 411165770 /nfs/dbraw/zinc/16/57/70/411165770.db2.gz BAOGNTHBSSAQFO-YUMQZZPRSA-N -1 0 244.291 0.128 20 0 BCADRM CCCN(CC)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656001201 411167723 /nfs/dbraw/zinc/16/77/23/411167723.db2.gz AKSZPIAMOLHKNG-QMMMGPOBSA-N -1 0 244.291 0.082 20 0 BCADRM 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C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)NC/C=C/Cl ZINC000899854693 584243428 /nfs/dbraw/zinc/24/34/28/584243428.db2.gz MUYXNGIOUHETCE-OHUBKANTSA-N -1 0 235.667 0.733 20 0 BCADRM CC(C)CN(C)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000899938799 584258954 /nfs/dbraw/zinc/25/89/54/584258954.db2.gz XOBKTDMAFIUPEC-MYJAWHEDSA-N -1 0 240.303 0.957 20 0 BCADRM COC(=O)NC[C@H](CC(=O)[O-])c1ccncc1 ZINC000899944330 584259830 /nfs/dbraw/zinc/25/98/30/584259830.db2.gz NEGUAOJETMRPQC-VIFPVBQESA-N -1 0 238.243 0.996 20 0 BCADRM CCn1cnc(CN[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000900035846 584268294 /nfs/dbraw/zinc/26/82/94/584268294.db2.gz PILZDFVDJKMOKU-NSHDSACASA-N -1 0 239.275 0.236 20 0 BCADRM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1n[nH]c(=O)[n-]1 ZINC000900212119 584286592 /nfs/dbraw/zinc/28/65/92/584286592.db2.gz QHQYUHNNJRSAMN-FXQIFTODSA-N -1 0 236.275 0.676 20 0 BCADRM COC[C@@H](NC(=O)NC/C=C\Cl)C(=O)[O-] ZINC000900312640 584293817 /nfs/dbraw/zinc/29/38/17/584293817.db2.gz GAHZHXLWMUUOFY-VROIDLATSA-N -1 0 236.655 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CC[C@H](C(=O)[O-])N(C)c1cc(COC)ncn1 ZINC000900961622 584371446 /nfs/dbraw/zinc/37/14/46/584371446.db2.gz JGFRNTRRCHPPRW-SECBINFHSA-N -1 0 239.275 0.922 20 0 BCADRM COCc1cc(N[C@H]2C[C@H](C(=O)[O-])C2)ncn1 ZINC000900965336 584372016 /nfs/dbraw/zinc/37/20/16/584372016.db2.gz MBKFYRRUWUTCMY-ZKCHVHJHSA-N -1 0 237.259 0.898 20 0 BCADRM O=C([O-])[C@H]1C[C@@H](Nc2cnc(F)cn2)C1 ZINC000900965251 584372071 /nfs/dbraw/zinc/37/20/71/584372071.db2.gz LRXWDWRZVAVJOF-OLQVQODUSA-N -1 0 211.196 0.891 20 0 BCADRM Cc1cc(-c2nnn(C)c2C(=O)[O-])on1 ZINC000901060311 584380430 /nfs/dbraw/zinc/38/04/30/584380430.db2.gz BGLZPGSSINOIHO-UHFFFAOYSA-N -1 0 208.177 0.477 20 0 BCADRM CC(C)(O)[C@H](O)C(=O)Nc1cccc(O)c1F ZINC000901241764 584406801 /nfs/dbraw/zinc/40/68/01/584406801.db2.gz AEDRUUUEDLSTLX-SECBINFHSA-N -1 0 243.234 0.602 20 0 BCADRM C/C(=C(\F)C(=O)[N-]OCC(N)=O)C1CC1 ZINC000901318314 584429207 /nfs/dbraw/zinc/42/92/07/584429207.db2.gz MNZXEADHUNAOHI-VMPITWQZSA-N -1 0 216.212 0.173 20 0 BCADRM CN(CC(=O)[O-])C(=O)COCc1ccccn1 ZINC000901419996 584441578 /nfs/dbraw/zinc/44/15/78/584441578.db2.gz INGGTIFZZWEUDV-UHFFFAOYSA-N -1 0 238.243 0.141 20 0 BCADRM CN(CC(=O)[O-])C(=O)CC(F)(F)C(F)F ZINC000901419572 584441692 /nfs/dbraw/zinc/44/16/92/584441692.db2.gz DPFUXVXYXLWMHC-UHFFFAOYSA-N -1 0 231.145 0.820 20 0 BCADRM Cc1cnc2c(C(=O)N(C)CC(=O)[O-])cnn2c1 ZINC000901421025 584442029 /nfs/dbraw/zinc/44/20/29/584442029.db2.gz ZDAPZCNEUDBMSQ-UHFFFAOYSA-N -1 0 248.242 0.194 20 0 BCADRM Cc1cncn1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000901453111 584443801 /nfs/dbraw/zinc/44/38/01/584443801.db2.gz BYRWRUOSVIHTJM-JTQLQIEISA-N -1 0 239.275 0.417 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000901451801 584443877 /nfs/dbraw/zinc/44/38/77/584443877.db2.gz UCCBOHWWMDZVAK-XLPZGREQSA-N -1 0 237.259 0.445 20 0 BCADRM O=C([O-])[C@@H]1CN(C(=O)C2(C3CC3)CC2)CCO1 ZINC000901452085 584443892 /nfs/dbraw/zinc/44/38/92/584443892.db2.gz LJGPMKKGGOLSIN-VIFPVBQESA-N -1 0 239.271 0.489 20 0 BCADRM C[C@@H](NC(=O)c1cccc2ncn(C)c21)C(=O)[O-] ZINC000901429995 584444256 /nfs/dbraw/zinc/44/42/56/584444256.db2.gz USRHSKJQDBALAO-SSDOTTSWSA-N -1 0 247.254 0.776 20 0 BCADRM Cc1cc(C2(C(=O)NCC(=O)[O-])CC2)on1 ZINC000901431862 584444753 /nfs/dbraw/zinc/44/47/53/584444753.db2.gz QZISJFPMWDIIOX-UHFFFAOYSA-N -1 0 224.216 0.215 20 0 BCADRM CC(C)c1nocc1C(=O)NCC(=O)[O-] ZINC000901431476 584444974 /nfs/dbraw/zinc/44/49/74/584444974.db2.gz OBCDUJSHZXEDFS-UHFFFAOYSA-N -1 0 212.205 0.612 20 0 BCADRM O=C([O-])CCNC(=O)[C@@H]1CCc2cncn2C1 ZINC000901437156 584445430 /nfs/dbraw/zinc/44/54/30/584445430.db2.gz DOEHDDPJJCBENQ-MRVPVSSYSA-N -1 0 237.259 0.036 20 0 BCADRM O=C([O-])C1(NC(=O)[C@H]2CCC(=O)O2)CCCC1 ZINC000901434110 584445500 /nfs/dbraw/zinc/44/55/00/584445500.db2.gz QPASSKHZLYHEAO-SSDOTTSWSA-N -1 0 241.243 0.206 20 0 BCADRM CO[C@@]1(C(=O)NCCC(=O)[O-])CCSC1 ZINC000901438164 584445702 /nfs/dbraw/zinc/44/57/02/584445702.db2.gz NFIIALBBAPFVHV-VIFPVBQESA-N -1 0 233.289 0.099 20 0 BCADRM O=C([O-])CCCNC(=O)c1cc(F)c[nH]c1=O ZINC000901438707 584445788 /nfs/dbraw/zinc/44/57/88/584445788.db2.gz OLQVMKSUBJUKHN-UHFFFAOYSA-N -1 0 242.206 0.521 20 0 BCADRM Cn1nc2c(c1C(=O)NCCC(=O)[O-])CCC2 ZINC000901438633 584445832 /nfs/dbraw/zinc/44/58/32/584445832.db2.gz PAVROTLGEFSUGS-UHFFFAOYSA-N -1 0 237.259 0.113 20 0 BCADRM CCn1cc(CC(=O)NCCCC(=O)[O-])cn1 ZINC000901438287 584445847 /nfs/dbraw/zinc/44/58/47/584445847.db2.gz MKDBLOACHDKXJW-UHFFFAOYSA-N -1 0 239.275 0.427 20 0 BCADRM C[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])c1cncnc1 ZINC000901443520 584446162 /nfs/dbraw/zinc/44/61/62/584446162.db2.gz ZUFCJDXCNMPLHK-WCBMZHEXSA-N -1 0 249.270 0.656 20 0 BCADRM Cc1ccnn1CC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000901449011 584447939 /nfs/dbraw/zinc/44/79/39/584447939.db2.gz LCWPUMSAIOUCGP-QMMMGPOBSA-N -1 0 225.248 0.123 20 0 BCADRM CCn1ncc(C(=O)N(C)[C@H](C)C(=O)[O-])c1C ZINC000901450095 584448188 /nfs/dbraw/zinc/44/81/88/584448188.db2.gz RFAIABSRRBQHSZ-MRVPVSSYSA-N -1 0 239.275 0.757 20 0 BCADRM CN(CCC(=O)[O-])C(=O)c1cc(F)c[nH]c1=O ZINC000901459478 584450538 /nfs/dbraw/zinc/45/05/38/584450538.db2.gz OCGWDXBTCDNPQM-UHFFFAOYSA-N -1 0 242.206 0.473 20 0 BCADRM CN(CCC(=O)[O-])C(=O)c1cnc2nccn2c1 ZINC000901460571 584450717 /nfs/dbraw/zinc/45/07/17/584450717.db2.gz VIIACPVITGFDLQ-UHFFFAOYSA-N -1 0 248.242 0.276 20 0 BCADRM CN(CCC(=O)[O-])C(=O)c1ccn2nccc2n1 ZINC000901458752 584450745 /nfs/dbraw/zinc/45/07/45/584450745.db2.gz JEDUGLMNQUNBMO-UHFFFAOYSA-N -1 0 248.242 0.276 20 0 BCADRM CC[C@@H](NC(=O)c1ncccc1OC)C(=O)[O-] ZINC000901465967 584451254 /nfs/dbraw/zinc/45/12/54/584451254.db2.gz GDZCAWSBFMEUAB-SSDOTTSWSA-N -1 0 238.243 0.683 20 0 BCADRM CC[C@@H](NC(=O)[C@]1(OC)CCSC1)C(=O)[O-] ZINC000901466962 584451564 /nfs/dbraw/zinc/45/15/64/584451564.db2.gz DJSQEVOSWMKENQ-XCBNKYQSSA-N -1 0 247.316 0.488 20 0 BCADRM CC[C@@H](NC(=O)c1cnc2cccnn21)C(=O)[O-] ZINC000901470782 584451716 /nfs/dbraw/zinc/45/17/16/584451716.db2.gz KVCYATDXUIHGJJ-SSDOTTSWSA-N -1 0 248.242 0.322 20 0 BCADRM CC[C@@H](NC(=O)CCc1ccon1)C(=O)[O-] ZINC000901469342 584451760 /nfs/dbraw/zinc/45/17/60/584451760.db2.gz ABLCUVJAEOCEJH-MRVPVSSYSA-N -1 0 226.232 0.587 20 0 BCADRM CC(C)[C@@H](NC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12)C(=O)[O-] ZINC000901467346 584451846 /nfs/dbraw/zinc/45/18/46/584451846.db2.gz GWYZAZWAPADOOB-BEYHFKMWSA-N -1 0 239.271 0.437 20 0 BCADRM CCCC[C@@H](NC(=O)[C@H]1C[C@@H](O)C1)C(=O)[O-] ZINC000901489947 584452443 /nfs/dbraw/zinc/45/24/43/584452443.db2.gz MNYHECXOEQEYDX-HRDYMLBCSA-N -1 0 229.276 0.517 20 0 BCADRM CCC[C@H](NC(=O)CCc1ccon1)C(=O)[O-] ZINC000901490319 584452560 /nfs/dbraw/zinc/45/25/60/584452560.db2.gz NJQHMGJHRNQTBY-VIFPVBQESA-N -1 0 240.259 0.977 20 0 BCADRM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000901499732 584454877 /nfs/dbraw/zinc/45/48/77/584454877.db2.gz LCMJDIDUCIVPKW-HLTSFMKQSA-N -1 0 227.260 0.081 20 0 BCADRM C[C@@](O)(CNC(=O)C1(C2CC2)CC1)C(=O)[O-] ZINC000901499892 584454906 /nfs/dbraw/zinc/45/49/06/584454906.db2.gz WTJNAPHRDSPFOH-SNVBAGLBSA-N -1 0 227.260 0.128 20 0 BCADRM CC(C)(CNC(=O)CCc1ccon1)C(=O)[O-] ZINC000901487028 584457883 /nfs/dbraw/zinc/45/78/83/584457883.db2.gz XJOKRAJLOBFARJ-UHFFFAOYSA-N -1 0 240.259 0.834 20 0 BCADRM COC/C(C)=C\Cn1[n-]c(SC)nc1=O ZINC000901535663 584460306 /nfs/dbraw/zinc/46/03/06/584460306.db2.gz JULGPWGZLCESOY-DAXSKMNVSA-N -1 0 229.305 0.886 20 0 BCADRM Cc1cn(C)nc1CSc1n[nH]c(=O)[n-]1 ZINC000901539146 584460665 /nfs/dbraw/zinc/46/06/65/584460665.db2.gz WGTBGKROMNUAKV-UHFFFAOYSA-N -1 0 225.277 0.845 20 0 BCADRM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCC(=O)O2)C1 ZINC000901570012 584466237 /nfs/dbraw/zinc/46/62/37/584466237.db2.gz UPFPATPYLHTQNY-RDDDGLTNSA-N -1 0 241.243 0.015 20 0 BCADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NC2CC2)CO1 ZINC000901581534 584467430 /nfs/dbraw/zinc/46/74/30/584467430.db2.gz WBWIKGJOXBZSFL-CBAPKCEASA-N -1 0 227.260 0.535 20 0 BCADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1c[nH]cn1 ZINC000901613393 584469290 /nfs/dbraw/zinc/46/92/90/584469290.db2.gz XWTNYRRVAYYMEG-LDWIPMOCSA-N -1 0 223.232 0.137 20 0 BCADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000901612306 584469321 /nfs/dbraw/zinc/46/93/21/584469321.db2.gz AIJCDQSLKFLLEN-XBWDGYHZSA-N -1 0 241.287 0.781 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N1CCc2cc(C)ccc21 ZINC000901622366 584469971 /nfs/dbraw/zinc/46/99/71/584469971.db2.gz NWHXRCRWJOURQT-NSHDSACASA-N -1 0 249.266 0.984 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N1CCc2cc(C)ccc21 ZINC000901622365 584469989 /nfs/dbraw/zinc/46/99/89/584469989.db2.gz NWHXRCRWJOURQT-LLVKDONJSA-N -1 0 249.266 0.984 20 0 BCADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1cn[nH]c1 ZINC000901625222 584470507 /nfs/dbraw/zinc/47/05/07/584470507.db2.gz CZEZSRLLUNHFPW-BUYFANAVSA-N -1 0 237.259 0.698 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N1CCc2cccc(C)c21 ZINC000901623506 584470545 /nfs/dbraw/zinc/47/05/45/584470545.db2.gz RWQPCELEPHXAIY-NSHDSACASA-N -1 0 249.266 0.984 20 0 BCADRM CN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccn(C)n1 ZINC000901631284 584471511 /nfs/dbraw/zinc/47/15/11/584471511.db2.gz WEYUBHMYTBKHFL-HTQZYQBOSA-N -1 0 237.259 0.494 20 0 BCADRM C[C@@H](CN(C)C(=O)CCc1ccon1)C(=O)[O-] ZINC000901646735 584475042 /nfs/dbraw/zinc/47/50/42/584475042.db2.gz IFIYSSKXDFNTLV-QMMMGPOBSA-N -1 0 240.259 0.786 20 0 BCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000901665152 584476901 /nfs/dbraw/zinc/47/69/01/584476901.db2.gz XWHUIKKPJKNCAL-AXTSPUMRSA-N -1 0 241.287 0.327 20 0 BCADRM CC[C@H](NC(=O)c1coc(CO)c1)C(=O)[O-] ZINC000901704709 584478986 /nfs/dbraw/zinc/47/89/86/584478986.db2.gz UVWSOYJNXMVSBM-QMMMGPOBSA-N -1 0 227.216 0.365 20 0 BCADRM C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)C[C@@H]1C(=O)[O-] ZINC000901697101 584483118 /nfs/dbraw/zinc/48/31/18/584483118.db2.gz QKFWXDMJTJOSSZ-IMSYWVGJSA-N -1 0 241.287 0.327 20 0 BCADRM COC[C@@H](C)CNC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC000901744757 584489975 /nfs/dbraw/zinc/48/99/75/584489975.db2.gz JJFMJQCQJCMDRJ-RNSXUZJQSA-N -1 0 229.276 0.496 20 0 BCADRM COC(C)(C)CNC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC000901782914 584492912 /nfs/dbraw/zinc/49/29/12/584492912.db2.gz ICBZYVPLAYNVOU-HQJQHLMTSA-N -1 0 229.276 0.638 20 0 BCADRM C[C@H](O)CCN(C)C(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC000901785951 584493232 /nfs/dbraw/zinc/49/32/32/584493232.db2.gz LXIQXDUKWCKIGX-FYBVGQRMSA-N -1 0 229.276 0.327 20 0 BCADRM Cc1cc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)ccn1 ZINC000901798015 584496026 /nfs/dbraw/zinc/49/60/26/584496026.db2.gz MQQBRUCRGPICNJ-KRTXAFLBSA-N -1 0 234.255 0.861 20 0 BCADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@@H]1C[C@@H]1C ZINC000901798049 584496151 /nfs/dbraw/zinc/49/61/51/584496151.db2.gz HBMNXSVHBPYLJJ-PJFCORBGSA-N -1 0 211.261 0.869 20 0 BCADRM COC(=O)[C@@H](C)CNC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC000901799526 584496329 /nfs/dbraw/zinc/49/63/29/584496329.db2.gz CIJXIRLCLIMRNU-CVJICSNFSA-N -1 0 243.259 0.023 20 0 BCADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1cc[nH]n1 ZINC000901799177 584496335 /nfs/dbraw/zinc/49/63/35/584496335.db2.gz PPTFTTZDUBJAHC-LDWIPMOCSA-N -1 0 223.232 0.137 20 0 BCADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CC[C@H](C)C1 ZINC000901805482 584497047 /nfs/dbraw/zinc/49/70/47/584497047.db2.gz KRRNHAGLBFGDCE-RNSXUZJQSA-N -1 0 211.261 0.966 20 0 BCADRM Cc1ccnn1CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000858986474 588988383 /nfs/dbraw/zinc/98/83/83/588988383.db2.gz IBVKHIDSFWYEHX-LLVKDONJSA-N -1 0 239.275 0.766 20 0 BCADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NC2CCC2)CO1 ZINC000901824156 584499309 /nfs/dbraw/zinc/49/93/09/584499309.db2.gz RCPXVXOWZQRDNS-SCZZXKLOSA-N -1 0 241.287 0.925 20 0 BCADRM C=CC(=O)N(C)CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000858987474 588988390 /nfs/dbraw/zinc/98/83/90/588988390.db2.gz RYGORBKIYIPOJB-LLVKDONJSA-N -1 0 242.275 0.205 20 0 BCADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NC2CCC2)CO1 ZINC000901824159 584499593 /nfs/dbraw/zinc/49/95/93/584499593.db2.gz RCPXVXOWZQRDNS-WPRPVWTQSA-N -1 0 241.287 0.925 20 0 BCADRM Cc1cc(CNC(=O)[C@]2(C(=O)[O-])C[C@H]2C)[nH]n1 ZINC000901873183 584502062 /nfs/dbraw/zinc/50/20/62/584502062.db2.gz PSMQKIVGRLLYDU-KBUNVGBDSA-N -1 0 237.259 0.445 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)Nc1sc(C)nc1C ZINC000901878375 584502217 /nfs/dbraw/zinc/50/22/17/584502217.db2.gz OLVKIQIRGQVUBH-LURJTMIESA-N -1 0 244.272 0.798 20 0 BCADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@]1(C)CCCO1 ZINC000901873827 584502428 /nfs/dbraw/zinc/50/24/28/584502428.db2.gz UZCCHXRTXPBLTK-ZHAHWJHGSA-N -1 0 241.287 0.783 20 0 BCADRM CO[C@H](CNC(=O)[C@]1(C(=O)[O-])C[C@H]1C)C(C)C ZINC000901897402 584504678 /nfs/dbraw/zinc/50/46/78/584504678.db2.gz KRLDDQYXVDGTMP-LNLATYFQSA-N -1 0 243.303 0.884 20 0 BCADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCOC(C)(C)C1 ZINC000901977432 584508164 /nfs/dbraw/zinc/50/81/64/584508164.db2.gz SAJMLDTTYXEINM-PELKAZGASA-N -1 0 241.287 0.735 20 0 BCADRM C[C@@]1(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCOC1 ZINC000901985761 584509522 /nfs/dbraw/zinc/50/95/22/584509522.db2.gz YWYIQZQQKPYBKV-SOCHQFKDSA-N -1 0 227.260 0.392 20 0 BCADRM Cn1cccc1CN1CCOC[C@H]1C(=O)[O-] ZINC000901984620 584509791 /nfs/dbraw/zinc/50/97/91/584509791.db2.gz KPIFETUDLFJQHE-JTQLQIEISA-N 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CCCS(=O)(=O)[N-]C(=O)/C=C/[C@@H]1CCCO1 ZINC000820089942 587020884 /nfs/dbraw/zinc/02/08/84/587020884.db2.gz DNZCFOUADSIHSN-CYNONHLPSA-N -1 0 247.316 0.578 20 0 BCADRM C[C@@H](NC(=O)C(C)(C)c1cnn(C)c1)C(=O)[O-] ZINC000820115092 587023003 /nfs/dbraw/zinc/02/30/03/587023003.db2.gz TYGYSWKWCAHQGS-SSDOTTSWSA-N -1 0 239.275 0.287 20 0 BCADRM C[C@H](O)CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000820160261 587029780 /nfs/dbraw/zinc/02/97/80/587029780.db2.gz BEWKZOYCUFJPAM-ZETCQYMHSA-N -1 0 223.228 0.495 20 0 BCADRM C[C@H](OC(=O)[C@H]1CCO[C@H]1C)C(=O)[O-] ZINC000820165372 587030722 /nfs/dbraw/zinc/03/07/22/587030722.db2.gz CTADKOAJGYINAS-ACZMJKKPSA-N -1 0 202.206 0.428 20 0 BCADRM C[C@H](OC(=O)[C@@]1(C)CCCO1)C(=O)[O-] ZINC000820165764 587031258 /nfs/dbraw/zinc/03/12/58/587031258.db2.gz LMKDBJIDVMYZBX-IMTBSYHQSA-N -1 0 202.206 0.572 20 0 BCADRM C[C@H](OC(=O)CN(C)[C@H]1CCSC1)C(=O)[O-] ZINC000820172848 587031623 /nfs/dbraw/zinc/03/16/23/587031623.db2.gz CBPVDCKAGJJYNM-YUMQZZPRSA-N -1 0 247.316 0.440 20 0 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C[C@@H](NC(=O)[C@H]1CCC(=O)[C@H](C)C1)C(=O)[O-] ZINC000820221274 587035761 /nfs/dbraw/zinc/03/57/61/587035761.db2.gz MHVQUVQSWPYUBB-PRJMDXOYSA-N -1 0 227.260 0.581 20 0 BCADRM C[C@@]12CCCN1C(=O)N(CCCC(=O)[O-])C2=O ZINC000820215001 587035913 /nfs/dbraw/zinc/03/59/13/587035913.db2.gz PULXCGKVQNPYDJ-NSHDSACASA-N -1 0 240.259 0.668 20 0 BCADRM CC1=C(C(=O)OCC(=O)[O-])CCCO1 ZINC000820220975 587036142 /nfs/dbraw/zinc/03/61/42/587036142.db2.gz GPJVJPPKGKXFHG-UHFFFAOYSA-N -1 0 200.190 0.699 20 0 BCADRM C[C@@H]1C[C@H](C(=O)OCC(=O)[O-])CCC1=O ZINC000820222076 587036341 /nfs/dbraw/zinc/03/63/41/587036341.db2.gz XKVCMAHDKRUYLN-RNFRBKRXSA-N -1 0 214.217 0.620 20 0 BCADRM C[C@H]1CC(=O)CC[C@@H]1C(=O)NCC(=O)[O-] ZINC000820220595 587036374 /nfs/dbraw/zinc/03/63/74/587036374.db2.gz BSGQYYHCWVIHFX-XPUUQOCRSA-N -1 0 213.233 0.193 20 0 BCADRM C[C@@H]1CC(=O)CC[C@H]1C(=O)NCC(=O)[O-] ZINC000820220591 587036391 /nfs/dbraw/zinc/03/63/91/587036391.db2.gz BSGQYYHCWVIHFX-HTRCEHHLSA-N -1 0 213.233 0.193 20 0 BCADRM 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244.291 0.526 20 0 BCADRM CC(C)C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824042653 587251509 /nfs/dbraw/zinc/25/15/09/587251509.db2.gz ANBSZSWPPWDDOV-RKDXNWHRSA-N -1 0 244.291 0.526 20 0 BCADRM CC(C)[C@H](CCO)NC(=O)CN(C)C(=O)[O-] ZINC000824105452 587255948 /nfs/dbraw/zinc/25/59/48/587255948.db2.gz VVAJYASCBQWCNZ-QMMMGPOBSA-N -1 0 232.280 0.119 20 0 BCADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H](O)C1CC1 ZINC000824136574 587257749 /nfs/dbraw/zinc/25/77/49/587257749.db2.gz LREDQZTZFADJND-BDAKNGLRSA-N -1 0 244.291 0.166 20 0 BCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCCCO ZINC000824144396 587258110 /nfs/dbraw/zinc/25/81/10/587258110.db2.gz XNKXMODPWNBCKQ-SSDOTTSWSA-N -1 0 219.237 0.204 20 0 BCADRM CC(C)[C@H](O)CNC(=O)C(C)(C)CNC(=O)[O-] ZINC000824144116 587258137 /nfs/dbraw/zinc/25/81/37/587258137.db2.gz SFOURVKOVRCVEI-MRVPVSSYSA-N -1 0 246.307 0.413 20 0 BCADRM CC(C)[C@@H](O)CNC(=O)CCCNC(=O)[O-] ZINC000824150751 587258510 /nfs/dbraw/zinc/25/85/10/587258510.db2.gz RKYBRTJGCSMPSB-QMMMGPOBSA-N -1 0 232.280 0.167 20 0 BCADRM CC(C)C[C@H](CNC(=O)[O-])NC(N)=O ZINC000824203796 587260205 /nfs/dbraw/zinc/26/02/05/587260205.db2.gz LXZRYODVABWXPE-ZCFIWIBFSA-N -1 0 203.242 0.337 20 0 BCADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N(C)C[C@@H](C)O ZINC000824204366 587260277 /nfs/dbraw/zinc/26/02/77/587260277.db2.gz RCQJCAVKSQKJPD-BDAKNGLRSA-N -1 0 246.307 0.508 20 0 BCADRM CC(C)C[C@H](O)CNC(=O)CCCNC(=O)[O-] ZINC000824219818 587260614 /nfs/dbraw/zinc/26/06/14/587260614.db2.gz XNCWIALHXTZYMP-VIFPVBQESA-N -1 0 246.307 0.557 20 0 BCADRM CCO[N-]C(=O)CNC(=O)CC(C)=C(C)C ZINC000824220104 587260626 /nfs/dbraw/zinc/26/06/26/587260626.db2.gz BMZNEMXIWBCLGI-UHFFFAOYSA-N -1 0 228.292 0.917 20 0 BCADRM CC(C)[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC000824206581 587260927 /nfs/dbraw/zinc/26/09/27/587260927.db2.gz FMFHEWHKTDPCPD-MRVPVSSYSA-N -1 0 249.278 0.086 20 0 BCADRM CC(C)CNC(=O)COC1CN(C(=O)[O-])C1 ZINC000824263250 587263759 /nfs/dbraw/zinc/26/37/59/587263759.db2.gz PUCWQELLWOVKRM-UHFFFAOYSA-N -1 0 230.264 0.137 20 0 BCADRM CC(C)COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000824268567 587264069 /nfs/dbraw/zinc/26/40/69/587264069.db2.gz PSNDFQGAZKOBMO-MRVPVSSYSA-N -1 0 231.248 0.564 20 0 BCADRM CC(C)COC(=O)COC1CN(C(=O)[O-])C1 ZINC000824267362 587264282 /nfs/dbraw/zinc/26/42/82/587264282.db2.gz ANEGXPXGBNKJJQ-UHFFFAOYSA-N -1 0 231.248 0.564 20 0 BCADRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1nc[nH]n1 ZINC000824304376 587265300 /nfs/dbraw/zinc/26/53/00/587265300.db2.gz BATCLEJKQNFAMU-LURJTMIESA-N -1 0 241.251 0.426 20 0 BCADRM CC(C)NC(=O)NC1CN(C(=O)[O-])C1 ZINC000824374144 587268336 /nfs/dbraw/zinc/26/83/36/587268336.db2.gz PKKGCXYMPIEFDF-UHFFFAOYSA-N -1 0 201.226 0.056 20 0 BCADRM CC(C)NC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000824373001 587268291 /nfs/dbraw/zinc/26/82/91/587268291.db2.gz HSJLCFZPLSUTBT-MRVPVSSYSA-N -1 0 229.280 0.836 20 0 BCADRM CC(C)OC(=O)CC1CN(C(=O)[O-])C1 ZINC000824387010 587268806 /nfs/dbraw/zinc/26/88/06/587268806.db2.gz AWLFOKQRFVOIGB-UHFFFAOYSA-N -1 0 201.222 0.938 20 0 BCADRM C[C@H](CCCO)Nc1cnccc1-c1nn[nH]n1 ZINC000824400201 587269320 /nfs/dbraw/zinc/26/93/20/587269320.db2.gz BZTQNJKDWFNHIV-MRVPVSSYSA-N -1 0 248.290 0.835 20 0 BCADRM C[C@H](CCO)CNc1cnccc1-c1nn[nH]n1 ZINC000824406442 587269580 /nfs/dbraw/zinc/26/95/80/587269580.db2.gz JYJMGCDZMISNAB-MRVPVSSYSA-N -1 0 248.290 0.692 20 0 BCADRM Cc1cnn(C)c1NC(=O)NOC(C)(C)CO ZINC000824416555 587269795 /nfs/dbraw/zinc/26/97/95/587269795.db2.gz POZIAOSLEJQXIF-UHFFFAOYSA-N -1 0 242.279 0.553 20 0 BCADRM CON(C)CCNC(=O)c1cccc(F)c1[O-] ZINC000824451032 587271082 /nfs/dbraw/zinc/27/10/82/587271082.db2.gz FVJJPSZFZZLSSH-UHFFFAOYSA-N -1 0 242.250 0.754 20 0 BCADRM CC(C)c1nc(CONC(=O)[O-])no1 ZINC000824489313 587271791 /nfs/dbraw/zinc/27/17/91/587271791.db2.gz YVZFHRNSKUMJMC-UHFFFAOYSA-N -1 0 201.182 0.892 20 0 BCADRM C[C@H](C1CC1)N(C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000824544511 587275349 /nfs/dbraw/zinc/27/53/49/587275349.db2.gz RAZDLEZENQRZOC-SSDOTTSWSA-N -1 0 241.291 0.789 20 0 BCADRM C[C@@H](C1CC1)N(C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000824544512 587275468 /nfs/dbraw/zinc/27/54/68/587275468.db2.gz RAZDLEZENQRZOC-ZETCQYMHSA-N -1 0 241.291 0.789 20 0 BCADRM C[C@H](CC(=O)N(C)C1CC1)NC(=O)[O-] ZINC000824551803 587275692 /nfs/dbraw/zinc/27/56/92/587275692.db2.gz MNXJCNXXXTUHIO-ZCFIWIBFSA-N -1 0 200.238 0.653 20 0 BCADRM C[C@H](CC(=O)N(C)CC(C)(C)O)NC(=O)[O-] ZINC000824553453 587275791 /nfs/dbraw/zinc/27/57/91/587275791.db2.gz ZODXKBBXDHPXIP-SSDOTTSWSA-N -1 0 232.280 0.262 20 0 BCADRM C[C@H](CC(=O)N(C)c1cnn(C)c1)NC(=O)[O-] ZINC000824558341 587276310 /nfs/dbraw/zinc/27/63/10/587276310.db2.gz OIKBPTZCUKXVGU-SSDOTTSWSA-N -1 0 240.263 0.429 20 0 BCADRM C[C@@H](CC(=O)N1CC[C@@H](CCO)C1)NC(=O)[O-] ZINC000824563949 587276740 /nfs/dbraw/zinc/27/67/40/587276740.db2.gz FIAHCEIHMYJJNH-IUCAKERBSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@H](CC(=O)N1CC[C@H](CCO)C1)NC(=O)[O-] ZINC000824563950 587276761 /nfs/dbraw/zinc/27/67/61/587276761.db2.gz FIAHCEIHMYJJNH-RKDXNWHRSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@@H](CC(=O)N1CCC[C@@H](O)C1)NC(=O)[O-] ZINC000824582719 587278006 /nfs/dbraw/zinc/27/80/06/587278006.db2.gz QDMXGAQXRVLRPL-JGVFFNPUSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@@H](CC(=O)N1CCN(C)[C@H](C)C1)NC(=O)[O-] ZINC000824589359 587278368 /nfs/dbraw/zinc/27/83/68/587278368.db2.gz CABSYHHJUJXWEK-DTWKUNHWSA-N -1 0 243.307 0.195 20 0 BCADRM C[C@@H](CC(=O)N1CCSC[C@@H]1C)NC(=O)[O-] ZINC000824599863 587278776 /nfs/dbraw/zinc/27/87/76/587278776.db2.gz SOULZTPECGKOMF-YUMQZZPRSA-N -1 0 246.332 0.997 20 0 BCADRM C[C@H](CCCO)NC(=O)C[C@H](C)NC(=O)[O-] ZINC000824606287 587278886 /nfs/dbraw/zinc/27/88/86/587278886.db2.gz OUSKESPIZBSYSD-SFYZADRCSA-N -1 0 232.280 0.310 20 0 BCADRM C[C@H](CC(=O)N[C@@H](C)[C@@H]1CCOC1)NC(=O)[O-] ZINC000824605600 587279103 /nfs/dbraw/zinc/27/91/03/587279103.db2.gz KKHAAIHHFAADJD-HRDYMLBCSA-N -1 0 244.291 0.574 20 0 BCADRM C[C@H](CC(=O)N[C@H](C)C(C)(C)O)NC(=O)[O-] ZINC000824605630 587279106 /nfs/dbraw/zinc/27/91/06/587279106.db2.gz KMGVKIHNEMSOTL-RNFRBKRXSA-N -1 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ZINC000825000886 587298219 /nfs/dbraw/zinc/29/82/19/587298219.db2.gz CGWRJLUIWMSTGH-SSDOTTSWSA-N -1 0 226.232 0.838 20 0 BCADRM CC1=NO[C@@H](C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000825027057 587299273 /nfs/dbraw/zinc/29/92/73/587299273.db2.gz TVNANNZETTWQSW-RKDXNWHRSA-N -1 0 228.248 0.726 20 0 BCADRM COC[C@H](OC)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000825027489 587299653 /nfs/dbraw/zinc/29/96/53/587299653.db2.gz YSPMFKDZLGDSPP-DTWKUNHWSA-N -1 0 233.264 0.222 20 0 BCADRM C[C@@H](Cn1cccn1)OC(=O)CCNC(=O)[O-] ZINC000825055724 587299817 /nfs/dbraw/zinc/29/98/17/587299817.db2.gz MOODXQSQGOESHT-QMMMGPOBSA-N -1 0 241.247 0.473 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)N(C)CCOC(C)(C)C ZINC000825170697 587307258 /nfs/dbraw/zinc/30/72/58/587307258.db2.gz CVECXARBQANGPR-QMMMGPOBSA-N -1 0 246.307 0.916 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)N1CCC(C)(O)CC1 ZINC000825171888 587307712 /nfs/dbraw/zinc/30/77/12/587307712.db2.gz PBAVWRNZYCLOEF-ZETCQYMHSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCC(F)(F)C1 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C[C@H](O)CC(C)(C)CNC(=O)CCNC(=O)[O-] ZINC000825515389 587322602 /nfs/dbraw/zinc/32/26/02/587322602.db2.gz LVRXXZCXWRFXKE-QMMMGPOBSA-N -1 0 246.307 0.557 20 0 BCADRM C[C@@H](O)CCN(C)C(=O)C[C@@H](C)NC(=O)[O-] ZINC000825520796 587322921 /nfs/dbraw/zinc/32/29/21/587322921.db2.gz GRRBPKISENHCLI-HTQZYQBOSA-N -1 0 232.280 0.262 20 0 BCADRM C[C@@H](O)CCN(C)C(=O)CCCN(C)C(=O)[O-] ZINC000825521066 587322980 /nfs/dbraw/zinc/32/29/80/587322980.db2.gz KIDOTHFGELTCDG-SECBINFHSA-N -1 0 246.307 0.606 20 0 BCADRM C[C@@H](O)CCN(C)C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000825521888 587323017 /nfs/dbraw/zinc/32/30/17/587323017.db2.gz UIZCSWHHUNGOFB-DTWKUNHWSA-N -1 0 246.307 0.462 20 0 BCADRM C[C@H](O)CN(C)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000825522840 587323082 /nfs/dbraw/zinc/32/30/82/587323082.db2.gz YVFAVRYLXMOUOP-QMMMGPOBSA-N -1 0 244.291 0.406 20 0 BCADRM C[C@@H](O)CCNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000825521639 587323126 /nfs/dbraw/zinc/32/31/26/587323126.db2.gz ROFXKCXUHHGHFD-MRVPVSSYSA-N -1 0 244.291 0.264 20 0 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CCC[C@@H](O)CNC(=O)[C@H](CCC)NC(=O)[O-] ZINC000826764924 587361727 /nfs/dbraw/zinc/36/17/27/587361727.db2.gz MMVTYBDHQPCDNP-BDAKNGLRSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@@H](O)CNC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000826765116 587361733 /nfs/dbraw/zinc/36/17/33/587361733.db2.gz NLZUGAYLCBETHC-RKDXNWHRSA-N -1 0 244.291 0.406 20 0 BCADRM CCC[C@H]1C[C@H]1NC(=O)[C@H](C)NC(=O)[O-] ZINC000826775561 587362233 /nfs/dbraw/zinc/36/22/33/587362233.db2.gz QWLGHZGCUDSQKV-BIIVOSGPSA-N -1 0 214.265 0.947 20 0 BCADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H](C)CCO ZINC000826800616 587362814 /nfs/dbraw/zinc/36/28/14/587362814.db2.gz NQBURHLYKSYQSP-BDAKNGLRSA-N -1 0 246.307 0.556 20 0 BCADRM CC(C)C[C@H](O)CNC(=O)[C@H](C)CC(=O)[O-] ZINC000826806060 587363122 /nfs/dbraw/zinc/36/31/22/587363122.db2.gz CVZGYNNOPAPYRU-BDAKNGLRSA-N -1 0 231.292 0.620 20 0 BCADRM CCCCCn1nnnc1CNC(=O)[O-] ZINC000826825530 587363537 /nfs/dbraw/zinc/36/35/37/587363537.db2.gz GUTMMMNJFSSYIP-UHFFFAOYSA-N -1 0 213.241 0.631 20 0 BCADRM CCCNC(=O)COC(=O)C[C@H](C)NC(=O)[O-] ZINC000826925739 587365653 /nfs/dbraw/zinc/36/56/53/587365653.db2.gz LJGROUXCQCCWIH-ZETCQYMHSA-N -1 0 246.263 0.102 20 0 BCADRM CCCn1cc(NC(=O)CNC(=O)[O-])cn1 ZINC000826964375 587366871 /nfs/dbraw/zinc/36/68/71/587366871.db2.gz HYPLUNZDWYUAIO-UHFFFAOYSA-N -1 0 226.236 0.499 20 0 BCADRM CCN(C)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826983793 587366958 /nfs/dbraw/zinc/36/69/58/587366958.db2.gz ZQIKSVIFMLDVGX-MRVPVSSYSA-N -1 0 230.264 0.234 20 0 BCADRM CC(C)NC(=O)[C@H](C)OC(=O)[C@H](C)CC(=O)[O-] ZINC000826971712 587367035 /nfs/dbraw/zinc/36/70/35/587367035.db2.gz NYNOHDDYAUWVTN-SFYZADRCSA-N -1 0 245.275 0.554 20 0 BCADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1C[C@H]1C ZINC000826995015 587367269 /nfs/dbraw/zinc/36/72/69/587367269.db2.gz FUOHTQMUYOOXSN-OPRDCNLKSA-N -1 0 243.303 0.979 20 0 BCADRM CCN(CC(=O)NC[C@@H](OC)C(C)C)C(=O)[O-] ZINC000827002922 587367754 /nfs/dbraw/zinc/36/77/54/587367754.db2.gz WXXKASFQYHUPEU-SECBINFHSA-N -1 0 246.307 0.774 20 0 BCADRM CCN(CC(=O)N[C@H](CCO)C(C)C)C(=O)[O-] ZINC000827001874 587367826 /nfs/dbraw/zinc/36/78/26/587367826.db2.gz FECMBXCRGQGDHN-SECBINFHSA-N -1 0 246.307 0.510 20 0 BCADRM CCN(CC(=O)N[C@@H]1CCCSC1)C(=O)[O-] ZINC000827001808 587367856 /nfs/dbraw/zinc/36/78/56/587367856.db2.gz CWJHPVJJYQTVFV-MRVPVSSYSA-N -1 0 246.332 0.998 20 0 BCADRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1ccon1 ZINC000827021636 587367965 /nfs/dbraw/zinc/36/79/65/587367965.db2.gz GJHXXVZBPOGGLY-JTQLQIEISA-N -1 0 242.275 0.985 20 0 BCADRM CCN(CC(C)(C)O)C(=O)C[C@H](C)NC(=O)[O-] ZINC000827020453 587368086 /nfs/dbraw/zinc/36/80/86/587368086.db2.gz UKKHPWBJFKFXSI-QMMMGPOBSA-N -1 0 246.307 0.652 20 0 BCADRM CCN(CC(C)(C)O)C(=O)NCCNC(=O)[O-] ZINC000827020502 587368093 /nfs/dbraw/zinc/36/80/93/587368093.db2.gz VVWSEKOZBKZYLR-UHFFFAOYSA-N -1 0 247.295 0.056 20 0 BCADRM CCN(Cc1ccccn1)C(=O)CNC(=O)[O-] ZINC000827193933 587372614 /nfs/dbraw/zinc/37/26/14/587372614.db2.gz WTDKIKSEHZFPAZ-UHFFFAOYSA-N -1 0 237.259 0.698 20 0 BCADRM 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HHVJDNCRDHUZAK-SNVBAGLBSA-N -1 0 249.238 0.658 20 0 BCADRM CCOCCNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000827399773 587379922 /nfs/dbraw/zinc/37/99/22/587379922.db2.gz PHFLAOCUOKAULI-LLVKDONJSA-N -1 0 244.291 0.529 20 0 BCADRM CCONC(=O)CC1CN(C(=O)[O-])C1 ZINC000827408229 587380136 /nfs/dbraw/zinc/38/01/36/587380136.db2.gz FSLBRVDWZKROLY-UHFFFAOYSA-N -1 0 202.210 0.054 20 0 BCADRM CCONC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000827408699 587380169 /nfs/dbraw/zinc/38/01/69/587380169.db2.gz JVDHAZGGLBQSNF-VIFPVBQESA-N -1 0 216.237 0.444 20 0 BCADRM CCOCc1nc([C@H](C)NC(=O)[O-])no1 ZINC000827407890 587380186 /nfs/dbraw/zinc/38/01/86/587380186.db2.gz BRFFNBHTAZRYFZ-YFKPBYRVSA-N -1 0 215.209 0.935 20 0 BCADRM CCONC(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000827408974 587380350 /nfs/dbraw/zinc/38/03/50/587380350.db2.gz KWQVPVCVZOEOJJ-QMMMGPOBSA-N -1 0 245.279 0.722 20 0 BCADRM C[C@H](CCO)SCC(=O)NCCC(=O)[O-] ZINC000827417871 587380410 /nfs/dbraw/zinc/38/04/10/587380410.db2.gz QRMMNTHHTLCFJF-SSDOTTSWSA-N -1 0 235.305 0.081 20 0 BCADRM C[C@@H](S[C@@H](C)CCO)C(=O)NCC(=O)[O-] ZINC000827417375 587380441 /nfs/dbraw/zinc/38/04/41/587380441.db2.gz GRDPQOLKQGTXQO-NKWVEPMBSA-N -1 0 235.305 0.080 20 0 BCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)CCO ZINC000827418102 587380647 /nfs/dbraw/zinc/38/06/47/587380647.db2.gz WSJNCQVAYOLFRZ-JGVFFNPUSA-N -1 0 232.280 0.166 20 0 BCADRM C[C@H](CNC(=O)[C@H]1CSCCS1)C(=O)[O-] ZINC000827466241 587381576 /nfs/dbraw/zinc/38/15/76/587381576.db2.gz JUJJZOVXWMCDRF-RNFRBKRXSA-N -1 0 249.357 0.672 20 0 BCADRM C[C@@H](CNC(=O)[C@@H]1CSCCS1)C(=O)[O-] ZINC000827466238 587382312 /nfs/dbraw/zinc/38/23/12/587382312.db2.gz JUJJZOVXWMCDRF-BQBZGAKWSA-N -1 0 249.357 0.672 20 0 BCADRM C[C@@H](CN(Cc1nncn1C)C1CC1)C(=O)[O-] ZINC000827456502 587382354 /nfs/dbraw/zinc/38/23/54/587382354.db2.gz YHZQSNZIPRSBCA-QMMMGPOBSA-N -1 0 238.291 0.500 20 0 BCADRM O=C([N-]OCc1cccnc1)[C@@H](O)C1CCC1 ZINC000827501199 587384150 /nfs/dbraw/zinc/38/41/50/587384150.db2.gz JAORBHQZYMVEKF-NSHDSACASA-N -1 0 236.271 0.790 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N(C)CC[C@@H](C)O ZINC000827514446 587385101 /nfs/dbraw/zinc/38/51/01/587385101.db2.gz OMTREVWNXWQYSI-SFYZADRCSA-N -1 0 232.280 0.262 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N(C)CC(C)(C)O ZINC000827515185 587385310 /nfs/dbraw/zinc/38/53/10/587385310.db2.gz YRQBWVBGESVERL-ZETCQYMHSA-N -1 0 232.280 0.262 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N(C)C[C@H](O)C1CC1 ZINC000827514283 587385322 /nfs/dbraw/zinc/38/53/22/587385322.db2.gz LNBMUZIWFVDIFC-IUCAKERBSA-N -1 0 244.291 0.262 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H](CCO)C(C)C ZINC000827518109 587385683 /nfs/dbraw/zinc/38/56/83/587385683.db2.gz HBVLCXBPYJUVQI-DTWKUNHWSA-N -1 0 246.307 0.556 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H](C)CCCO ZINC000827517900 587385759 /nfs/dbraw/zinc/38/57/59/587385759.db2.gz DTINTMUYMVIAFQ-SFYZADRCSA-N -1 0 232.280 0.310 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](C)[C@H]1C ZINC000827519168 587385804 /nfs/dbraw/zinc/38/58/04/587385804.db2.gz QTZUQFBUPWEEAD-HLTSFMKQSA-N -1 0 244.291 0.668 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@@H]1O ZINC000827524770 587386246 /nfs/dbraw/zinc/38/62/46/587386246.db2.gz RLEJQQZWZQUVRO-VGMNWLOBSA-N -1 0 244.291 0.310 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(C)=O ZINC000827539328 587386680 /nfs/dbraw/zinc/38/66/80/587386680.db2.gz RLKMZVHLAVDQFG-RQJHMYQMSA-N -1 0 217.221 0.553 20 0 BCADRM C[C@H](CS(=O)(=O)N1CCCC1(C)C)C(=O)[O-] ZINC000827540555 587386716 /nfs/dbraw/zinc/38/67/16/587386716.db2.gz FCMAQLZJICKUCW-MRVPVSSYSA-N -1 0 249.332 0.911 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)OC ZINC000827539693 587386720 /nfs/dbraw/zinc/38/67/20/587386720.db2.gz YIOLRXANWXDHAA-RITPCOANSA-N -1 0 233.220 0.137 20 0 BCADRM C[C@H](CS(=O)(=O)NC[C@@H]1CC1(C)C)C(=O)[O-] ZINC000827558574 587387892 /nfs/dbraw/zinc/38/78/92/587387892.db2.gz OYIVGUKSDNVKKB-SFYZADRCSA-N -1 0 249.332 0.673 20 0 BCADRM C[C@@H](CS(=O)(=O)NCC1CCCC1)C(=O)[O-] ZINC000827559308 587388025 /nfs/dbraw/zinc/38/80/25/587388025.db2.gz VWCRIBFLRXAZIX-QMMMGPOBSA-N -1 0 249.332 0.817 20 0 BCADRM C[C@H](CS(=O)(=O)NCCC1CC1)C(=O)[O-] ZINC000827558460 587388069 /nfs/dbraw/zinc/38/80/69/587388069.db2.gz MZZBZWDRUYLOCL-SSDOTTSWSA-N -1 0 235.305 0.427 20 0 BCADRM C[C@H](Cn1cccn1)OC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000827596831 587391274 /nfs/dbraw/zinc/39/12/74/587391274.db2.gz AXWDVIKNJNZINV-HLTSFMKQSA-N -1 0 238.243 0.536 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)Cn1cccn1 ZINC000827597034 587391385 /nfs/dbraw/zinc/39/13/85/587391385.db2.gz JRCNFDXOKSIVDZ-BDAKNGLRSA-N -1 0 239.275 0.499 20 0 BCADRM C[C@H](Cc1ccncc1)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000827592706 587391644 /nfs/dbraw/zinc/39/16/44/587391644.db2.gz SCCWURQMXIIVHI-DVVUODLYSA-N -1 0 248.282 0.850 20 0 BCADRM CCn1cc(C(=O)OC[C@@H](C)NC(=O)[O-])cn1 ZINC000827699936 587397353 /nfs/dbraw/zinc/39/73/53/587397353.db2.gz FMUSUBNCURHQNY-SSDOTTSWSA-N -1 0 241.247 0.716 20 0 BCADRM CCn1ccnc1CNC1CN(C(=O)[O-])C1 ZINC000827707918 587397940 /nfs/dbraw/zinc/39/79/40/587397940.db2.gz XXCSRIYLVNLBLV-UHFFFAOYSA-N -1 0 224.264 0.355 20 0 BCADRM CCn1ccnc1CNCCNC(=O)[O-] ZINC000827707324 587398111 /nfs/dbraw/zinc/39/81/11/587398111.db2.gz RUDYWFSVFIVTLZ-UHFFFAOYSA-N -1 0 212.253 0.260 20 0 BCADRM CCn1cnnc1CN[C@@H]1CCN(C(=O)[O-])C1 ZINC000827710425 587398278 /nfs/dbraw/zinc/39/82/78/587398278.db2.gz CELHEWZKOVMFNN-MRVPVSSYSA-N -1 0 239.279 0.140 20 0 BCADRM CN(C(=O)[C@@]1(C)CCN(C(=O)[O-])C1)C1CC1 ZINC000827730559 587400240 /nfs/dbraw/zinc/40/02/40/587400240.db2.gz LNDKTWOGMACLKV-NSHDSACASA-N -1 0 226.276 0.997 20 0 BCADRM CN(C(=O)C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827737448 587400405 /nfs/dbraw/zinc/40/04/05/587400405.db2.gz ARLRXNNSOYWXAM-MRVPVSSYSA-N -1 0 212.249 0.607 20 0 BCADRM CN(C(=O)[C@H]1CCN(C(=O)[O-])C1)c1cn[nH]c1 ZINC000827745145 587400606 /nfs/dbraw/zinc/40/06/06/587400606.db2.gz FUAWQPGIVMFCOM-ZETCQYMHSA-N -1 0 238.247 0.372 20 0 BCADRM CN(C(=O)CCNC(=O)[O-])c1ncccc1F ZINC000827758762 587400966 /nfs/dbraw/zinc/40/09/66/587400966.db2.gz DAERVBOTAZLNKV-UHFFFAOYSA-N -1 0 241.222 0.841 20 0 BCADRM CN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000827754096 587401107 /nfs/dbraw/zinc/40/11/07/587401107.db2.gz WBMNXGIIXSGSEA-SECBINFHSA-N -1 0 242.275 0.376 20 0 BCADRM C[C@@H](NC(=O)CCc1nnn[n-]1)c1ccc[nH]1 ZINC000867049188 587401166 /nfs/dbraw/zinc/40/11/66/587401166.db2.gz SRAZAONFDNORJU-SSDOTTSWSA-N -1 0 234.263 0.338 20 0 BCADRM CN(C(=O)CCCNC(=O)[O-])c1cn[nH]c1 ZINC000827759608 587401178 /nfs/dbraw/zinc/40/11/78/587401178.db2.gz WBUVTFVGVGEIJI-UHFFFAOYSA-N -1 0 226.236 0.420 20 0 BCADRM C[C@@H](CNC(=O)[C@@H](C)CC(=O)[O-])C[C@H](C)O ZINC000827787944 587402343 /nfs/dbraw/zinc/40/23/43/587402343.db2.gz FBPSZDSBKUQQOW-VGMNWLOBSA-N -1 0 231.292 0.620 20 0 BCADRM C[C@@H](O)CCN(C)C(=O)CCSCC(=O)[O-] ZINC000827790803 587402575 /nfs/dbraw/zinc/40/25/75/587402575.db2.gz SADBGABMSXTVJL-MRVPVSSYSA-N -1 0 249.332 0.424 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NC[C@@H](C)C[C@H](C)O ZINC000827787945 587402690 /nfs/dbraw/zinc/40/26/90/587402690.db2.gz FBPSZDSBKUQQOW-YIZRAAEISA-N -1 0 231.292 0.620 20 0 BCADRM C[C@H](O)CNC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827803471 587403095 /nfs/dbraw/zinc/40/30/95/587403095.db2.gz LZLLIVIPHSSAMI-LURJTMIESA-N -1 0 241.247 0.226 20 0 BCADRM C[C@@H](O)CNC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827803472 587403106 /nfs/dbraw/zinc/40/31/06/587403106.db2.gz LZLLIVIPHSSAMI-ZCFIWIBFSA-N -1 0 241.247 0.226 20 0 BCADRM CN(C(=O)NCCNC(=O)[O-])C1CCOCC1 ZINC000827801044 587403214 /nfs/dbraw/zinc/40/32/14/587403214.db2.gz ARWJJBIZQPACJX-UHFFFAOYSA-N -1 0 245.279 0.074 20 0 BCADRM C[C@@H](OC(=O)[C@@H](C)C1CC1)C(=O)NCC(=O)[O-] ZINC000827809703 587403630 /nfs/dbraw/zinc/40/36/30/587403630.db2.gz IFXITHGXJGYUJJ-NKWVEPMBSA-N -1 0 243.259 0.165 20 0 BCADRM C[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC000827816869 587403994 /nfs/dbraw/zinc/40/39/94/587403994.db2.gz DBWACCPAAZAJII-JQCXWYLXSA-N -1 0 228.244 0.675 20 0 BCADRM CN(C(=O)[O-])[C@H]1CCN(C(=S)NC2CC2)C1 ZINC000827875466 587406122 /nfs/dbraw/zinc/40/61/22/587406122.db2.gz FAXLDSBEXOHQDZ-QMMMGPOBSA-N -1 0 243.332 0.707 20 0 BCADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000827876203 587406966 /nfs/dbraw/zinc/40/69/66/587406966.db2.gz RTFOFPSDWRJVSJ-MRVPVSSYSA-N -1 0 238.247 0.234 20 0 BCADRM O=C(N[C@H]1COC[C@H]1O)c1cccc(F)c1[O-] ZINC000827875766 587407162 /nfs/dbraw/zinc/40/71/62/587407162.db2.gz YQBFBBZALXNUJP-DTWKUNHWSA-N -1 0 241.218 0.021 20 0 BCADRM C[C@H](O)[C@H](C)S[C@@H](C)C(=O)NCC(=O)[O-] ZINC000827902923 587408853 /nfs/dbraw/zinc/40/88/53/587408853.db2.gz XQJQQHRZRQOELS-ACZMJKKPSA-N -1 0 235.305 0.078 20 0 BCADRM C[C@@H](Sc1nccn2nnnc12)C(=O)[O-] ZINC000827921350 587409981 /nfs/dbraw/zinc/40/99/81/587409981.db2.gz FJVFGQQIQFOLJY-SCSAIBSYSA-N -1 0 225.233 0.085 20 0 BCADRM C[C@@H](Sc1cnccn1)C(=O)NCC(=O)[O-] ZINC000827922533 587410135 /nfs/dbraw/zinc/41/01/35/587410135.db2.gz RLLLAWWAZJMTCH-ZCFIWIBFSA-N -1 0 241.272 0.158 20 0 BCADRM CN(C(=S)NC1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827950470 587412337 /nfs/dbraw/zinc/41/23/37/587412337.db2.gz QMLHZTZPPIDICX-QMMMGPOBSA-N -1 0 243.332 0.707 20 0 BCADRM CN(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000827975202 587414192 /nfs/dbraw/zinc/41/41/92/587414192.db2.gz KCIJLCFYNYLZKQ-BDAKNGLRSA-N -1 0 241.291 0.885 20 0 BCADRM CN(C)C(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000827976924 587414558 /nfs/dbraw/zinc/41/45/58/587414558.db2.gz ZXPLXRFXHAEKST-SSDOTTSWSA-N -1 0 215.253 0.352 20 0 BCADRM CN(C)C(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000827975818 587414621 /nfs/dbraw/zinc/41/46/21/587414621.db2.gz NOZLRNUHLNDBAP-UHFFFAOYSA-N -1 0 229.280 0.742 20 0 BCADRM CN(CC(=O)N1CCC(C)(C)C1)C(=O)[O-] ZINC000828090552 587417927 /nfs/dbraw/zinc/41/79/27/587417927.db2.gz OCSPDRGYIITNJF-UHFFFAOYSA-N -1 0 214.265 0.855 20 0 BCADRM CN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)C1CC1 ZINC000828086086 587418588 /nfs/dbraw/zinc/41/85/88/587418588.db2.gz PHIFJWBWLYAJFO-SSDOTTSWSA-N -1 0 248.304 0.163 20 0 BCADRM N[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)C(F)(F)F ZINC000828059486 587418813 /nfs/dbraw/zinc/41/88/13/587418813.db2.gz NVNWJWJXDZZIOU-RITPCOANSA-N -1 0 242.197 0.450 20 0 BCADRM CN(CC(=O)N[C@@H]1CCCC[C@H]1CO)C(=O)[O-] ZINC000828102309 587419519 /nfs/dbraw/zinc/41/95/19/587419519.db2.gz IYAMVSYNZFHJBP-DTWKUNHWSA-N -1 0 244.291 0.264 20 0 BCADRM CN(CC(=O)NC[C@H]1CCCS1)C(=O)[O-] ZINC000828108241 587419694 /nfs/dbraw/zinc/41/96/94/587419694.db2.gz OQHDIRCQBBPLAR-SSDOTTSWSA-N -1 0 232.305 0.608 20 0 BCADRM C[C@@]1(O)CCN(C(=O)CCSCC(=O)[O-])C1 ZINC000828110697 587419700 /nfs/dbraw/zinc/41/97/00/587419700.db2.gz QVFKIYNMGDPDTK-SNVBAGLBSA-N -1 0 247.316 0.178 20 0 BCADRM CN(CC(=O)NCc1ccc(F)cn1)C(=O)[O-] ZINC000828108682 587419753 /nfs/dbraw/zinc/41/97/53/587419753.db2.gz SXYIKFFXHJLXAQ-UHFFFAOYSA-N -1 0 241.222 0.447 20 0 BCADRM CN(CC(=O)Nc1cccc(O)c1)C(=O)[O-] ZINC000828120547 587420192 /nfs/dbraw/zinc/42/01/92/587420192.db2.gz RBWBUWNURJMTKY-UHFFFAOYSA-N -1 0 224.216 0.941 20 0 BCADRM CN(C[C@@H](O)C1CC1)C(=O)CCCNC(=O)[O-] ZINC000828162084 587422774 /nfs/dbraw/zinc/42/27/74/587422774.db2.gz LAIRHZHJKUJZJM-SECBINFHSA-N -1 0 244.291 0.264 20 0 BCADRM CN(C[C@H](O)C1CC1)C(=O)CCCNC(=O)[O-] ZINC000828162087 587422788 /nfs/dbraw/zinc/42/27/88/587422788.db2.gz LAIRHZHJKUJZJM-VIFPVBQESA-N -1 0 244.291 0.264 20 0 BCADRM CN(CC1CC1)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828167940 587422957 /nfs/dbraw/zinc/42/29/57/587422957.db2.gz CTKUVOCJXKSJNM-SECBINFHSA-N -1 0 242.275 0.234 20 0 BCADRM CN(C[C@@H]1CCCN1C(N)=O)C(=O)[O-] ZINC000828218956 587425076 /nfs/dbraw/zinc/42/50/76/587425076.db2.gz ZBADEOYDMNNDIF-LURJTMIESA-N -1 0 201.226 0.139 20 0 BCADRM CN(C[C@H]1CCN(c2cccnn2)C1)C(=O)[O-] ZINC000828266639 587429479 /nfs/dbraw/zinc/42/94/79/587429479.db2.gz HXRHVEUUEZFFHC-SECBINFHSA-N -1 0 236.275 0.913 20 0 BCADRM CN(CCCNC(=O)[O-])C(=O)Cc1ccon1 ZINC000828297531 587432804 /nfs/dbraw/zinc/43/28/04/587432804.db2.gz BHQCLNZILZZAFB-UHFFFAOYSA-N -1 0 241.247 0.333 20 0 BCADRM CN(CCCNC(=O)[O-])C(=O)C1(C)CC1 ZINC000828297566 587432891 /nfs/dbraw/zinc/43/28/91/587432891.db2.gz BXZWKHAJJZJJMO-UHFFFAOYSA-N -1 0 214.265 0.903 20 0 BCADRM CN(CCCNC(=O)[O-])C(=O)[C@@]1(C)CCCO1 ZINC000828297574 587432985 /nfs/dbraw/zinc/43/29/85/587432985.db2.gz CAYBNLUFSISBAW-LLVKDONJSA-N -1 0 244.291 0.672 20 0 BCADRM C[C@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000828311121 587433062 /nfs/dbraw/zinc/43/30/62/587433062.db2.gz UNRQRNBAFTZTIS-YUMQZZPRSA-N -1 0 241.287 0.781 20 0 BCADRM C[C@@H]1CN(C(=O)C2=CCCCO2)C[C@H]1C(=O)[O-] ZINC000828326536 587435025 /nfs/dbraw/zinc/43/50/25/587435025.db2.gz SQKBTJJKUUIAFO-RKDXNWHRSA-N -1 0 239.271 0.860 20 0 BCADRM CN(Cc1cc[nH]n1)C(=O)C1(NC(=O)[O-])CC1 ZINC000828350498 587438058 /nfs/dbraw/zinc/43/80/58/587438058.db2.gz JOBIUTBCBIGZNQ-UHFFFAOYSA-N -1 0 238.247 0.168 20 0 BCADRM C[C@H]1CN(C(=O)c2ncccn2)C[C@H]1C(=O)[O-] ZINC000828411420 587440695 /nfs/dbraw/zinc/44/06/95/587440695.db2.gz HMYHTVJGOCVVNN-JGVFFNPUSA-N -1 0 235.243 0.269 20 0 BCADRM C[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1C(=O)[O-] ZINC000828411421 587440743 /nfs/dbraw/zinc/44/07/43/587440743.db2.gz HMYHTVJGOCVVNN-SFYZADRCSA-N -1 0 235.243 0.269 20 0 BCADRM CN(Cc1ccon1)C(=O)C1(NC(=O)[O-])CC1 ZINC000828410712 587440754 /nfs/dbraw/zinc/44/07/54/587440754.db2.gz JQGYIVDRMZNCSJ-UHFFFAOYSA-N -1 0 239.231 0.433 20 0 BCADRM C[C@H]1CN(C(=S)NC2CC2)C[C@@H]1C(=O)[O-] ZINC000828412525 587440888 /nfs/dbraw/zinc/44/08/88/587440888.db2.gz NJSLGWRVUBVGPX-XPUUQOCRSA-N -1 0 228.317 0.676 20 0 BCADRM C[C@@H]1COCCCN1Cn1cnc(C(=O)[O-])n1 ZINC000828508309 587445998 /nfs/dbraw/zinc/44/59/98/587445998.db2.gz BKWUJEVYCVSKNK-MRVPVSSYSA-N -1 0 240.263 0.045 20 0 BCADRM C[C@H]1CN(c2ncnc3n[nH]cc32)C[C@H]1C(=O)[O-] ZINC000828500792 587446126 /nfs/dbraw/zinc/44/61/26/587446126.db2.gz XFNSNZOZMHVABS-POYBYMJQSA-N -1 0 247.258 0.510 20 0 BCADRM C/C=C(/C)C(=O)OCC(=O)NCCC(=O)[O-] ZINC000828535020 587448869 /nfs/dbraw/zinc/44/88/69/587448869.db2.gz UXAJRLSGRUFOLY-CLTKARDFSA-N -1 0 229.232 0.087 20 0 BCADRM CNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828537740 587449170 /nfs/dbraw/zinc/44/91/70/587449170.db2.gz KHQUIGMXBGALRS-ZCFIWIBFSA-N -1 0 218.278 0.218 20 0 BCADRM CNC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000828551651 587450422 /nfs/dbraw/zinc/45/04/22/587450422.db2.gz DPLVOPGBFBNAGQ-MRVPVSSYSA-N -1 0 231.296 0.940 20 0 BCADRM CNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828551621 587450443 /nfs/dbraw/zinc/45/04/43/587450443.db2.gz DMHLRHFXNALHLJ-QMMMGPOBSA-N -1 0 227.264 0.543 20 0 BCADRM CNC(=O)c1cccnc1NCCNC(=O)[O-] ZINC000828572859 587451154 /nfs/dbraw/zinc/45/11/54/587451154.db2.gz JYKXRMZQABBPKE-UHFFFAOYSA-N -1 0 238.247 0.121 20 0 BCADRM CNC(=S)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828572559 587451374 /nfs/dbraw/zinc/45/13/74/587451374.db2.gz DHWIOCLTSXFYRJ-SFYZADRCSA-N -1 0 243.332 0.707 20 0 BCADRM COC(=O)/C(C)=C/COC(=O)[C@@H](C)NC(=O)[O-] ZINC000828601448 587452922 /nfs/dbraw/zinc/45/29/22/587452922.db2.gz PMGLTVJNMMEGBW-PTYLAXBQSA-N -1 0 245.231 0.305 20 0 BCADRM COC(=O)[C@@H](C)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828607157 587453297 /nfs/dbraw/zinc/45/32/97/587453297.db2.gz HSABRJOKDVRFLB-HTQZYQBOSA-N -1 0 230.264 0.232 20 0 BCADRM COC(=O)[C@H](C)OC(=O)C[C@@H](C)NC(=O)[O-] ZINC000828606437 587453444 /nfs/dbraw/zinc/45/34/44/587453444.db2.gz AYDMWVKDDZBDBT-RITPCOANSA-N -1 0 233.220 0.137 20 0 BCADRM COC(=O)[C@H](C)OC(=O)C[C@H](C)NC(=O)[O-] ZINC000828606439 587453504 /nfs/dbraw/zinc/45/35/04/587453504.db2.gz AYDMWVKDDZBDBT-WDSKDSINSA-N -1 0 233.220 0.137 20 0 BCADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCC(=O)OC ZINC000828617554 587454069 /nfs/dbraw/zinc/45/40/69/587454069.db2.gz FJPOCWHNOUSXBC-LLVKDONJSA-N -1 0 245.275 0.699 20 0 BCADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCC(=O)OC ZINC000828617555 587454086 /nfs/dbraw/zinc/45/40/86/587454086.db2.gz FJPOCWHNOUSXBC-NSHDSACASA-N -1 0 245.275 0.699 20 0 BCADRM CCOc1n[nH]c(NC(=O)CC2(C)COC2)n1 ZINC000828655171 587455732 /nfs/dbraw/zinc/45/57/32/587455732.db2.gz XWNZEEOBYPJIJA-UHFFFAOYSA-N -1 0 240.263 0.569 20 0 BCADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1nonc1C ZINC000828652763 587455758 /nfs/dbraw/zinc/45/57/58/587455758.db2.gz RTEKRHXOTVCXJO-JTQLQIEISA-N -1 0 241.247 0.751 20 0 BCADRM COC(=O)COC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828688389 587457426 /nfs/dbraw/zinc/45/74/26/587457426.db2.gz IOBJHSRZPXZWJT-BQBZGAKWSA-N -1 0 245.231 0.139 20 0 BCADRM CC[C@](C)(NC(=O)[C@H](C)CC(=O)OC)C(=O)[O-] ZINC000828685827 587457571 /nfs/dbraw/zinc/45/75/71/587457571.db2.gz RVNMCHLSMUVMOV-HQJQHLMTSA-N -1 0 245.275 0.555 20 0 BCADRM CC[C@@H](C)C(=O)COC(=O)CCNC(=O)[O-] ZINC000828700563 587457760 /nfs/dbraw/zinc/45/77/60/587457760.db2.gz NOTGAOINTMVUDQ-SSDOTTSWSA-N -1 0 231.248 0.803 20 0 BCADRM COC(=O)N1CCN(C(=O)[O-])CC1(C)C ZINC000828712880 587458208 /nfs/dbraw/zinc/45/82/08/587458208.db2.gz BLPNEVSLZYEYAE-UHFFFAOYSA-N -1 0 216.237 0.827 20 0 BCADRM CC[C@@H](C)NC(=O)COC(=O)[C@@H](C)CC(=O)[O-] ZINC000828758700 587458881 /nfs/dbraw/zinc/45/88/81/587458881.db2.gz NPVBOYBGJZQOTL-JGVFFNPUSA-N -1 0 245.275 0.555 20 0 BCADRM CC[C@H](C)[C@H](O)CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000828735590 587459572 /nfs/dbraw/zinc/45/95/72/587459572.db2.gz CFGYEJKXLJEMDW-UYXSQOIJSA-N -1 0 229.276 0.230 20 0 BCADRM CC[C@H](C)[C@H](O)CNC(=O)CCNC(=O)[O-] ZINC000828738871 587459633 /nfs/dbraw/zinc/45/96/33/587459633.db2.gz PPZYADNHFTVMBQ-JGVFFNPUSA-N -1 0 232.280 0.167 20 0 BCADRM CC[C@H](C)N(OC)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000828753059 587460084 /nfs/dbraw/zinc/46/00/84/587460084.db2.gz CXABENVDDQJXTM-XLPZGREQSA-N -1 0 215.249 0.896 20 0 BCADRM CC[C@@H](C)NC(=O)NC1CN(C(=O)[O-])C1 ZINC000828758910 587460545 /nfs/dbraw/zinc/46/05/45/587460545.db2.gz PJKYMCKPOCWDFZ-ZCFIWIBFSA-N -1 0 215.253 0.446 20 0 BCADRM CC[C@H](C[C@@H](C)CO)NC(=O)CNC(=O)[O-] ZINC000828770109 587461039 /nfs/dbraw/zinc/46/10/39/587461039.db2.gz CMGMDJNGIWPIGO-HTQZYQBOSA-N -1 0 232.280 0.167 20 0 BCADRM COC(C)(C)CNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000828817292 587463011 /nfs/dbraw/zinc/46/30/11/587463011.db2.gz KBYQZGVGOIGLGX-SSDOTTSWSA-N -1 0 232.280 0.574 20 0 BCADRM CO[C@@H](C)CC(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828823972 587463213 /nfs/dbraw/zinc/46/32/13/587463213.db2.gz LUVRSUHRMSDDNR-DTWKUNHWSA-N -1 0 244.291 0.622 20 0 BCADRM COC(C)(C)CNC(=O)NCCCNC(=O)[O-] ZINC000828823846 587463275 /nfs/dbraw/zinc/46/32/75/587463275.db2.gz JPLOOCYDUHSFFW-UHFFFAOYSA-N -1 0 247.295 0.368 20 0 BCADRM CCC(CC)(NC(=O)[C@H](C)CC(=O)[O-])C(N)=O ZINC000828820115 587464033 /nfs/dbraw/zinc/46/40/33/587464033.db2.gz BOOVTQQESQYHFV-SSDOTTSWSA-N -1 0 244.291 0.258 20 0 BCADRM CO[C@@H](C)C(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000828823632 587464168 /nfs/dbraw/zinc/46/41/68/587464168.db2.gz FKNXOBWMQVYWIP-QMMMGPOBSA-N -1 0 246.307 0.774 20 0 BCADRM CO[C@H](C)CCOC(=O)C1(NC(=O)[O-])CC1 ZINC000828823676 587464363 /nfs/dbraw/zinc/46/43/63/587464363.db2.gz GPTNMKVBHMXSJY-SSDOTTSWSA-N -1 0 231.248 0.755 20 0 BCADRM CO[C@@H](C)COC(=O)C(C)(C)CNC(=O)[O-] ZINC000828823573 587464419 /nfs/dbraw/zinc/46/44/19/587464419.db2.gz DDXPTTFPXOXBOQ-ZETCQYMHSA-N -1 0 233.264 0.858 20 0 BCADRM CO[C@@H](C)CCOC(=O)CCNC(=O)[O-] ZINC000828823939 587464571 /nfs/dbraw/zinc/46/45/71/587464571.db2.gz LAEJDEBINGHZAH-ZETCQYMHSA-N -1 0 219.237 0.612 20 0 BCADRM CO[C@@H](C)CCOC(=O)[C@H](C)NC(=O)[O-] ZINC000828825026 587464640 /nfs/dbraw/zinc/46/46/40/587464640.db2.gz WPMAKRLKCNNYKW-BQBZGAKWSA-N -1 0 219.237 0.611 20 0 BCADRM CO[C@H](C)C(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000828824120 587464828 /nfs/dbraw/zinc/46/48/28/587464828.db2.gz OPNVVVRAMXTNBE-SFYZADRCSA-N -1 0 230.264 0.280 20 0 BCADRM CO[C@H](C)C(=O)OC[C@@H](C)NC(=O)[O-] ZINC000828824154 587464836 /nfs/dbraw/zinc/46/48/36/587464836.db2.gz PDZKEHLSKAHITM-PHDIDXHHSA-N -1 0 205.210 0.221 20 0 BCADRM CO[C@H](C)COC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828829406 587465118 /nfs/dbraw/zinc/46/51/18/587465118.db2.gz FNTHYVSMWFVSTE-RKDXNWHRSA-N -1 0 245.275 0.955 20 0 BCADRM CO[C@@H](C)c1noc(CN(C)C(=O)[O-])n1 ZINC000828835617 587465592 /nfs/dbraw/zinc/46/55/92/587465592.db2.gz FKHVJLKINHJKLZ-YFKPBYRVSA-N -1 0 215.209 0.887 20 0 BCADRM CO[C@@H](CNC(=O)C[C@@H](C)NC(=O)[O-])C(C)C ZINC000828844984 587466046 /nfs/dbraw/zinc/46/60/46/587466046.db2.gz YILHMXFGMHXEQG-BDAKNGLRSA-N -1 0 246.307 0.820 20 0 BCADRM CCC(CC)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000828854912 587467055 /nfs/dbraw/zinc/46/70/55/587467055.db2.gz YKULYNWZCVBMNX-SSDOTTSWSA-N -1 0 245.275 0.555 20 0 BCADRM CCC(CC)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000828863252 587467487 /nfs/dbraw/zinc/46/74/87/587467487.db2.gz YJVUQIYOWYGBFP-ZETCQYMHSA-N -1 0 237.321 0.815 20 0 BCADRM CO[C@@]1(C)C[C@@H](NC(=O)CNC(=O)[O-])C1(C)C ZINC000828865551 587467851 /nfs/dbraw/zinc/46/78/51/587467851.db2.gz QPRQZIXOEWZCCV-HQJQHLMTSA-N -1 0 244.291 0.574 20 0 BCADRM COCC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828880771 587467977 /nfs/dbraw/zinc/46/79/77/587467977.db2.gz OKNXYWYNIIRHMO-RKDXNWHRSA-N -1 0 244.291 0.528 20 0 BCADRM COCC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828881426 587468021 /nfs/dbraw/zinc/46/80/21/587468021.db2.gz ZVFLIAMWMJUJME-VIFPVBQESA-N -1 0 242.275 0.376 20 0 BCADRM CC[C@@H](CCO)CNC(=O)[C@H](C)CC(=O)[O-] ZINC000828874560 587468101 /nfs/dbraw/zinc/46/81/01/587468101.db2.gz LEPDQPKZEFIYEI-BDAKNGLRSA-N -1 0 231.292 0.622 20 0 BCADRM COC1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000828879648 587468135 /nfs/dbraw/zinc/46/81/35/587468135.db2.gz AVNWMQSMMMAFDE-UHFFFAOYSA-N -1 0 242.275 0.424 20 0 BCADRM COC1CN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000828880557 587468203 /nfs/dbraw/zinc/46/82/03/587468203.db2.gz LNNFSDSOWLMOAZ-HTQZYQBOSA-N -1 0 242.275 0.280 20 0 BCADRM COC[C@H](C)CC(=O)NCC[C@H](C)NC(=O)[O-] ZINC000828897101 587469670 /nfs/dbraw/zinc/46/96/70/587469670.db2.gz OUWJSFRBXHZSAT-BDAKNGLRSA-N -1 0 246.307 0.821 20 0 BCADRM COC[C@H](C)CC(=O)NCCN(C)C(=O)[O-] ZINC000828897072 587469693 /nfs/dbraw/zinc/46/96/93/587469693.db2.gz ONRUXDANIRXDON-MRVPVSSYSA-N -1 0 232.280 0.385 20 0 BCADRM COC[C@H](C)CC(=O)O[C@H]1CCN(C(=O)[O-])C1 ZINC000828898029 587470157 /nfs/dbraw/zinc/47/01/57/587470157.db2.gz XFLLMRJPNWFQJI-BDAKNGLRSA-N -1 0 245.275 0.955 20 0 BCADRM COC[C@H](C)CC(=O)NCCNC(=O)[O-] ZINC000828898402 587470159 /nfs/dbraw/zinc/47/01/59/587470159.db2.gz YVWMRORWVNCNFC-SSDOTTSWSA-N -1 0 218.253 0.043 20 0 BCADRM COC[C@@H](C)NC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828902767 587470492 /nfs/dbraw/zinc/47/04/92/587470492.db2.gz GZDKHVWILYPTTP-BDAKNGLRSA-N -1 0 244.291 0.670 20 0 BCADRM CC[C@H](NC(=O)[C@@H](C)CC(=O)[O-])C(=O)OC ZINC000828907325 587471027 /nfs/dbraw/zinc/47/10/27/587471027.db2.gz SOLWNEATFOKGBX-BQBZGAKWSA-N -1 0 231.248 0.165 20 0 BCADRM CS(=O)(=O)[N-]C(=O)c1ccc(C(F)F)o1 ZINC000860445986 589101228 /nfs/dbraw/zinc/10/12/28/589101228.db2.gz AVDGVUJUOXTVAL-UHFFFAOYSA-N -1 0 239.199 0.907 20 0 BCADRM COC[C@@H](C)NC(=O)CN(CC1CC1)C(=O)[O-] ZINC000828904907 587470934 /nfs/dbraw/zinc/47/09/34/587470934.db2.gz YIGLQTXXIKHDLN-MRVPVSSYSA-N -1 0 244.291 0.528 20 0 BCADRM COC[C@@H](C)OC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828904185 587471069 /nfs/dbraw/zinc/47/10/69/587471069.db2.gz SLIINSJAUOWWPI-HTQZYQBOSA-N -1 0 233.264 0.810 20 0 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ZINC000739795708 602924925 /nfs/dbraw/zinc/92/49/25/602924925.db2.gz KDXZLUJLKKTMFP-SFYZADRCSA-N -1 0 231.248 0.707 20 0 BCADRM CC(C)OCC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000738859815 602925303 /nfs/dbraw/zinc/92/53/03/602925303.db2.gz GWSRAKDGOYEOND-SECBINFHSA-N -1 0 244.291 0.622 20 0 BCADRM O=C([O-])NCC(=O)OCc1nc(C2CC2)no1 ZINC000739937158 602926121 /nfs/dbraw/zinc/92/61/21/602926121.db2.gz VAVNMEMGFCUXEC-UHFFFAOYSA-N -1 0 241.203 0.258 20 0 BCADRM O=C([O-])N1CCC[C@H]1COC(=O)[C@@H]1CCOC1 ZINC000740719959 602926992 /nfs/dbraw/zinc/92/69/92/602926992.db2.gz IDASDCOCMVWZHE-BDAKNGLRSA-N -1 0 243.259 0.709 20 0 BCADRM C[C@@H]1CN(C(=O)[C@H]2CCOC2)CCN1C(=O)[O-] ZINC000739128728 602928957 /nfs/dbraw/zinc/92/89/57/602928957.db2.gz RCSXZDQCMRDELI-BDAKNGLRSA-N -1 0 242.275 0.234 20 0 BCADRM C[C@@H](CC(=O)NCC1(O)CCCC1)NC(=O)[O-] ZINC000824637759 602930733 /nfs/dbraw/zinc/93/07/33/602930733.db2.gz VDBVGAIPONBNSW-QMMMGPOBSA-N -1 0 244.291 0.454 20 0 BCADRM COC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739802805 602932785 /nfs/dbraw/zinc/93/27/85/602932785.db2.gz ATOLRGKWINRMKQ-DJLDLDEBSA-N -1 0 244.291 0.574 20 0 BCADRM O=C([O-])NCCOCC(=O)O[C@H]1C=CCCC1 ZINC000740664928 602933526 /nfs/dbraw/zinc/93/35/26/602933526.db2.gz BKXGSFLEZMFKPL-VIFPVBQESA-N -1 0 243.259 0.923 20 0 BCADRM CC(C)C(=O)COC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000738758975 602933813 /nfs/dbraw/zinc/93/38/13/602933813.db2.gz DAJVWDNZDXFTTM-QMMMGPOBSA-N -1 0 243.259 0.897 20 0 BCADRM CCNC(=O)CN1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000739463441 602938386 /nfs/dbraw/zinc/93/83/86/602938386.db2.gz QSHDMJUJNLQYGV-RKDXNWHRSA-N -1 0 243.307 0.195 20 0 BCADRM CCOC(=O)CN1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739472252 602938635 /nfs/dbraw/zinc/93/86/35/602938635.db2.gz WKNVJNKNELYQOB-DTORHVGOSA-N -1 0 244.291 0.622 20 0 BCADRM C[C@@H]1CN(C(=O)c2cc[nH]n2)CCN1C(=O)[O-] ZINC000739167827 602949134 /nfs/dbraw/zinc/94/91/34/602949134.db2.gz PHBCOWSXUAOOFL-SSDOTTSWSA-N -1 0 238.247 0.234 20 0 BCADRM CCCOCCOC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739360174 602963354 /nfs/dbraw/zinc/96/33/54/602963354.db2.gz GVWWMAPHIZEDAU-VIFPVBQESA-N -1 0 245.275 0.956 20 0 BCADRM COC[C@@H](C)OC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739808997 602964550 /nfs/dbraw/zinc/96/45/50/602964550.db2.gz WMFAGAJBWVATOG-HTQZYQBOSA-N -1 0 231.248 0.564 20 0 BCADRM COC[C@@H](C)OC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739808999 602964583 /nfs/dbraw/zinc/96/45/83/602964583.db2.gz WMFAGAJBWVATOG-SFYZADRCSA-N -1 0 231.248 0.564 20 0 BCADRM COC(C)(C)C[C@@H](C)NC(=O)[C@H](C)NC(=O)[O-] ZINC000739792113 602969980 /nfs/dbraw/zinc/96/99/80/602969980.db2.gz LQKQLQPMDJGYGX-SFYZADRCSA-N -1 0 246.307 0.962 20 0 BCADRM O=C([O-])N1CC[C@H](CN2CCOCC2)C1 ZINC000739920645 602975915 /nfs/dbraw/zinc/97/59/15/602975915.db2.gz NRTOFJUFIQVBHB-SECBINFHSA-N -1 0 214.265 0.319 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)NC[C@@H](O)CC(C)(C)C ZINC000738995310 602995641 /nfs/dbraw/zinc/99/56/41/602995641.db2.gz PQKAYRTTYHQOMC-SFYZADRCSA-N -1 0 246.307 0.556 20 0 BCADRM O=C(C[C@H]1CCOC1)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740348248 602995793 /nfs/dbraw/zinc/99/57/93/602995793.db2.gz BBTLEZIZHFFDEO-BDAKNGLRSA-N -1 0 242.275 0.282 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)NC[C@H](O)CC(C)(C)C ZINC000738995309 602996065 /nfs/dbraw/zinc/99/60/65/602996065.db2.gz PQKAYRTTYHQOMC-JGVFFNPUSA-N -1 0 246.307 0.556 20 0 BCADRM Cc1nccc(C(=O)OCCN(C)C(=O)[O-])n1 ZINC000740236535 602997536 /nfs/dbraw/zinc/99/75/36/602997536.db2.gz NPYDWYUPANNBPM-UHFFFAOYSA-N -1 0 239.231 0.552 20 0 BCADRM CNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000828551856 603003999 /nfs/dbraw/zinc/00/39/99/603003999.db2.gz JOKOXHQCDWIIIW-BQBZGAKWSA-N -1 0 215.253 0.352 20 0 BCADRM CN(CCCNC(=O)[O-])C(=O)C[C@@H]1CCOC1 ZINC000739672961 603004681 /nfs/dbraw/zinc/00/46/81/603004681.db2.gz XVYUZLLQQWBOHW-VIFPVBQESA-N -1 0 244.291 0.529 20 0 BCADRM CN(CCCNC(=O)[O-])C(=O)C[C@H]1CCOC1 ZINC000739672960 603004830 /nfs/dbraw/zinc/00/48/30/603004830.db2.gz XVYUZLLQQWBOHW-SECBINFHSA-N -1 0 244.291 0.529 20 0 BCADRM CNC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000828552357 603006206 /nfs/dbraw/zinc/00/62/06/603006206.db2.gz PIGSPKVTXZESBW-VIFPVBQESA-N -1 0 237.259 0.924 20 0 BCADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1ccncc1 ZINC000740566103 603014406 /nfs/dbraw/zinc/01/44/06/603014406.db2.gz FKNSBKQZNDESLN-ZJUUUORDSA-N -1 0 249.270 0.878 20 0 BCADRM CON(C)C(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739848163 603016485 /nfs/dbraw/zinc/01/64/85/603016485.db2.gz FIRLBPFYUJXBDN-BQBZGAKWSA-N -1 0 216.237 0.443 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)N(C)Cc1cnccn1 ZINC000738978848 603016717 /nfs/dbraw/zinc/01/67/17/603016717.db2.gz LZSCCRXOJKIMSL-ZETCQYMHSA-N -1 0 238.247 0.091 20 0 BCADRM COC(=O)CN(C)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739762558 603018327 /nfs/dbraw/zinc/01/83/27/603018327.db2.gz RGYXWMAEDGZNLL-UHFFFAOYSA-N -1 0 246.263 0.054 20 0 BCADRM CC(C)(CC(=O)N1CCC[C@@H](O)C1)NC(=O)[O-] ZINC000738732884 603018893 /nfs/dbraw/zinc/01/88/93/603018893.db2.gz VFYYYKPSGANFMY-MRVPVSSYSA-N -1 0 244.291 0.406 20 0 BCADRM CC(C)(CC(=O)NCc1cc[nH]n1)NC(=O)[O-] ZINC000738735296 603022178 /nfs/dbraw/zinc/02/21/78/603022178.db2.gz PVMSBJGBGYNDEI-UHFFFAOYSA-N -1 0 240.263 0.462 20 0 BCADRM O=C([O-])NCCN(CC(F)F)C1CC1 ZINC000740659964 603025074 /nfs/dbraw/zinc/02/50/74/603025074.db2.gz XPFUZYBXTZOFIR-UHFFFAOYSA-N -1 0 208.208 0.984 20 0 BCADRM C[C@@H]1C[C@@H]1NC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739082921 603082337 /nfs/dbraw/zinc/08/23/37/603082337.db2.gz MXOPHCDPSGCGID-YEPSODPASA-N -1 0 241.291 0.740 20 0 BCADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1cc[nH]n1 ZINC000740572765 603032660 /nfs/dbraw/zinc/03/26/60/603032660.db2.gz RSVFYIQERKTPNM-BQBZGAKWSA-N -1 0 238.247 0.785 20 0 BCADRM CCC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739213956 603036489 /nfs/dbraw/zinc/03/64/89/603036489.db2.gz WKPSCYJCXBHZJK-SSDOTTSWSA-N -1 0 200.238 0.559 20 0 BCADRM O=C([O-])NCCS(=O)(=O)c1ccccc1F ZINC000740666852 603036800 /nfs/dbraw/zinc/03/68/00/603036800.db2.gz CXAABMLDQDIYNH-UHFFFAOYSA-N -1 0 247.247 0.867 20 0 BCADRM C[C@H](CCNC(=O)C[C@@H]1CCOC1)NC(=O)[O-] ZINC000738896500 603036980 /nfs/dbraw/zinc/03/69/80/603036980.db2.gz FBNCAZQWLFYHKZ-BDAKNGLRSA-N -1 0 244.291 0.575 20 0 BCADRM CSCC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739997764 603040840 /nfs/dbraw/zinc/04/08/40/603040840.db2.gz FLGPZZMKPMWQGU-SSDOTTSWSA-N -1 0 232.305 0.512 20 0 BCADRM O=C([O-])NC[C@@H](NC(=O)[C@@H]1CCOC1)C1CC1 ZINC000740604838 603046194 /nfs/dbraw/zinc/04/61/94/603046194.db2.gz UGEUKBPHHQUJFC-RKDXNWHRSA-N -1 0 242.275 0.185 20 0 BCADRM Cc1nn(CCNC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000168874167 603046984 /nfs/dbraw/zinc/04/69/84/603046984.db2.gz HULKRTNVJMQRHN-UHFFFAOYSA-N -1 0 228.208 0.676 20 0 BCADRM O=C([O-])NCc1nc(Cn2cccn2)no1 ZINC000740000124 603047682 /nfs/dbraw/zinc/04/76/82/603047682.db2.gz FGBDIAYNGDWKNE-UHFFFAOYSA-N -1 0 223.192 0.082 20 0 BCADRM COC1CN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])C1 ZINC000739802534 603050107 /nfs/dbraw/zinc/05/01/07/603050107.db2.gz BJPNFNQGVXOMDN-IUCAKERBSA-N -1 0 242.275 0.280 20 0 BCADRM C[C@H](O)CCNC(=O)CC(C)(C)NC(=O)[O-] ZINC000739038875 603055041 /nfs/dbraw/zinc/05/50/41/603055041.db2.gz PMLCGACONDDIDR-ZETCQYMHSA-N -1 0 232.280 0.310 20 0 BCADRM C[C@H](CC(=O)NC[C@@H]1CCC[C@@H]1O)NC(=O)[O-] ZINC000824634366 603056249 /nfs/dbraw/zinc/05/62/49/603056249.db2.gz DFDKZUIFALCKHY-VGMNWLOBSA-N -1 0 244.291 0.310 20 0 BCADRM C[C@H](CC(=O)NC[C@H]1CCC[C@@H]1O)NC(=O)[O-] ZINC000824634363 603056456 /nfs/dbraw/zinc/05/64/56/603056456.db2.gz DFDKZUIFALCKHY-HLTSFMKQSA-N -1 0 244.291 0.310 20 0 BCADRM COC[C@@H]1CCN(C(=O)CCCNC(=O)[O-])C1 ZINC000737750888 603057554 /nfs/dbraw/zinc/05/75/54/603057554.db2.gz ABEFPWQRCFAWCM-SECBINFHSA-N -1 0 244.291 0.529 20 0 BCADRM CO[C@@H](C)C(=O)N[C@](C)(CNC(=O)[O-])C(C)C ZINC000739795364 603059107 /nfs/dbraw/zinc/05/91/07/603059107.db2.gz HEZNSQCLKINMPL-GZMMTYOYSA-N -1 0 246.307 0.820 20 0 BCADRM CCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739326670 603059803 /nfs/dbraw/zinc/05/98/03/603059803.db2.gz LDTMQSWEKLYVFF-DTWKUNHWSA-N -1 0 244.291 0.406 20 0 BCADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC1CCCC1 ZINC000740392847 603061820 /nfs/dbraw/zinc/06/18/20/603061820.db2.gz AQLCHSFGICMOJH-IUCAKERBSA-N -1 0 242.275 0.158 20 0 BCADRM O=C([O-])N1CC(Sc2ncccn2)C1 ZINC000740489140 603069593 /nfs/dbraw/zinc/06/95/93/603069593.db2.gz MXUSVBVCWNYZGF-UHFFFAOYSA-N -1 0 211.246 0.931 20 0 BCADRM CC(C)CNC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000738829560 603074272 /nfs/dbraw/zinc/07/42/72/603074272.db2.gz HWXJESZFSMWBKE-VIFPVBQESA-N -1 0 243.307 0.988 20 0 BCADRM COCCC(=O)N[C@@](C)(CNC(=O)[O-])C(C)C ZINC000739803528 603076945 /nfs/dbraw/zinc/07/69/45/603076945.db2.gz BPILYLMKCGKGJP-NSHDSACASA-N -1 0 246.307 0.821 20 0 BCADRM COCCC(=O)N[C@](C)(CNC(=O)[O-])C(C)C ZINC000739803526 603077366 /nfs/dbraw/zinc/07/73/66/603077366.db2.gz BPILYLMKCGKGJP-LLVKDONJSA-N -1 0 246.307 0.821 20 0 BCADRM Cc1nonc1C(=O)NC(C)(C)CNC(=O)[O-] ZINC000740267233 603079559 /nfs/dbraw/zinc/07/95/59/603079559.db2.gz PDANGUPXRNOARC-UHFFFAOYSA-N -1 0 242.235 0.154 20 0 BCADRM C[C@@H]1CN(CCNC(=O)[O-])[C@@H](C)CO1 ZINC000739179813 603081510 /nfs/dbraw/zinc/08/15/10/603081510.db2.gz DHJVQCPCZNVEFT-JGVFFNPUSA-N -1 0 202.254 0.363 20 0 BCADRM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)[O-] ZINC000739179816 603081538 /nfs/dbraw/zinc/08/15/38/603081538.db2.gz DHJVQCPCZNVEFT-SFYZADRCSA-N -1 0 202.254 0.363 20 0 BCADRM CC(C)(NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@H]1O ZINC000738754251 603084356 /nfs/dbraw/zinc/08/43/56/603084356.db2.gz NCXDSQZPKUQKDD-JGVFFNPUSA-N -1 0 244.291 0.310 20 0 BCADRM CC(C)[C@@](C)(CNC(=O)[O-])NS(C)(=O)=O ZINC000738771872 603085105 /nfs/dbraw/zinc/08/51/05/603085105.db2.gz NTSKTIABDGZDQD-MRVPVSSYSA-N -1 0 238.309 0.218 20 0 BCADRM COC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000828704007 603111564 /nfs/dbraw/zinc/11/15/64/603111564.db2.gz GIRQTASOCMULAJ-ZCFIWIBFSA-N -1 0 202.210 0.485 20 0 BCADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)C(C)(C)C ZINC000738926978 603101745 /nfs/dbraw/zinc/10/17/45/603101745.db2.gz STQLNLYPMHWYRL-ZETCQYMHSA-N -1 0 244.291 0.716 20 0 BCADRM COCCN(CC(=O)N1CCCC1)C(=O)[O-] ZINC000739818065 603104167 /nfs/dbraw/zinc/10/41/67/603104167.db2.gz UYXLMBLCIDPNCX-UHFFFAOYSA-N -1 0 230.264 0.235 20 0 BCADRM CON(C)C(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739848848 603106620 /nfs/dbraw/zinc/10/66/20/603106620.db2.gz PYPKDPLOAHUAQZ-RQJHMYQMSA-N -1 0 246.263 0.510 20 0 BCADRM COCCN(CC(=O)NC[C@@H]1C[C@@H]1C)C(=O)[O-] ZINC000739818560 603107217 /nfs/dbraw/zinc/10/72/17/603107217.db2.gz JGWONAGZUNQKBH-IUCAKERBSA-N -1 0 244.291 0.385 20 0 BCADRM CCNC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739454507 603107710 /nfs/dbraw/zinc/10/77/10/603107710.db2.gz DAUIWBNHSJGPKP-RQJHMYQMSA-N -1 0 230.264 0.626 20 0 BCADRM CNC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739738731 603108112 /nfs/dbraw/zinc/10/81/12/603108112.db2.gz OIPKSVBGQNJHHU-PHDIDXHHSA-N -1 0 216.237 0.236 20 0 BCADRM O=C([O-])N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000738657716 603108234 /nfs/dbraw/zinc/10/82/34/603108234.db2.gz YVDZNONDOSWSJU-SSDOTTSWSA-N -1 0 248.304 0.211 20 0 BCADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N(C)C ZINC000739195008 603108445 /nfs/dbraw/zinc/10/84/45/603108445.db2.gz AQZLCPYQMXNYMY-NKWVEPMBSA-N -1 0 230.264 0.578 20 0 BCADRM COC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000828704005 603111558 /nfs/dbraw/zinc/11/15/58/603111558.db2.gz GIRQTASOCMULAJ-LURJTMIESA-N -1 0 202.210 0.485 20 0 BCADRM CCOC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739467997 603113691 /nfs/dbraw/zinc/11/36/91/603113691.db2.gz KNLRVFLSFZGZFL-RNFRBKRXSA-N -1 0 201.222 0.986 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CC(OC)C1 ZINC000739308488 603115448 /nfs/dbraw/zinc/11/54/48/603115448.db2.gz USWZFDGTZOJMRC-MRVPVSSYSA-N -1 0 230.264 0.280 20 0 BCADRM Cn1cc(N2CCC[C@@H](NC(=O)[O-])C2=O)cn1 ZINC000739032963 603121140 /nfs/dbraw/zinc/12/11/40/603121140.db2.gz BSFBSLRNGTXOCZ-MRVPVSSYSA-N -1 0 238.247 0.183 20 0 BCADRM C[C@H]1CCN1C(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739115460 603132200 /nfs/dbraw/zinc/13/22/00/603132200.db2.gz SGWICEMDNUNPBC-CBAPKCEASA-N -1 0 241.291 0.836 20 0 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BCADRM O=C([O-])[C@H](NC(=O)c1coc(CO)c1)C1CC1 ZINC000909039997 639122098 /nfs/dbraw/zinc/12/20/98/639122098.db2.gz HSIFKPQMOBGMII-SECBINFHSA-N -1 0 239.227 0.365 20 0 BCADRM CSCC[C@@H](O)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000909039720 639122201 /nfs/dbraw/zinc/12/22/01/639122201.db2.gz PJESKFQKJDFFSG-SFYZADRCSA-N -1 0 247.316 0.080 20 0 BCADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC000909039976 639122239 /nfs/dbraw/zinc/12/22/39/639122239.db2.gz HGWJKIOIHVJHJH-ZJUUUORDSA-N -1 0 241.287 0.783 20 0 BCADRM O=C([O-])[C@@H](NC(=O)c1ncc[nH]1)C1CC1 ZINC000909039392 639122319 /nfs/dbraw/zinc/12/23/19/639122319.db2.gz NCVDJQMSXUVCBP-LURJTMIESA-N -1 0 209.205 0.003 20 0 BCADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@]12CCOC2)C1CC1 ZINC000909040100 639122376 /nfs/dbraw/zinc/12/23/76/639122376.db2.gz JDOZJSYVSXRMGW-LNLATYFQSA-N -1 0 239.271 0.392 20 0 BCADRM O=C([O-])[C@H](NC(=O)CCc1c[nH]cn1)C1CC1 ZINC000909041938 639124006 /nfs/dbraw/zinc/12/40/06/639124006.db2.gz OPFRRYOTPSPSRO-SNVBAGLBSA-N -1 0 237.259 0.322 20 0 BCADRM O=C([O-])[C@H](NC(=O)[C@H](O)C1CCC1)C1CC1 ZINC000909040708 639124059 /nfs/dbraw/zinc/12/40/59/639124059.db2.gz ATAGHDSDHHVHHD-RKDXNWHRSA-N -1 0 227.260 0.127 20 0 BCADRM CCO[C@@H]1[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000909043035 639125091 /nfs/dbraw/zinc/12/50/91/639125091.db2.gz MCLQZCITWIGBDH-PEBGCTIMSA-N -1 0 241.287 0.637 20 0 BCADRM O=C([O-])C[C@@H](NC(=O)CC1(O)CCC1)C1CC1 ZINC000909074453 639127210 /nfs/dbraw/zinc/12/72/10/639127210.db2.gz GDEWPGBOLQZLBW-SECBINFHSA-N -1 0 241.287 0.661 20 0 BCADRM CN(C(=O)NCCC(C)(C)O)C(C)(C)C(=O)[O-] ZINC000909070550 639127307 /nfs/dbraw/zinc/12/73/07/639127307.db2.gz VIYVVYURYOHHPO-UHFFFAOYSA-N -1 0 246.307 0.652 20 0 BCADRM CC(C)[C@H](O)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000909072686 639128822 /nfs/dbraw/zinc/12/88/22/639128822.db2.gz CVFUCKMIACVFEG-SCZZXKLOSA-N -1 0 229.276 0.373 20 0 BCADRM O=C([O-])C[C@H](NC(=O)[C@@H](O)C1CCC1)C1CC1 ZINC000909073468 639128947 /nfs/dbraw/zinc/12/89/47/639128947.db2.gz 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RUOMMDGERDLUST-MRVPVSSYSA-N -1 0 247.254 0.927 20 0 BCADRM C[C@H](CC(=O)[O-])NC(=O)CCC(C)(C)O ZINC000909094674 639142548 /nfs/dbraw/zinc/14/25/48/639142548.db2.gz CEONFKYBQORKKM-SSDOTTSWSA-N -1 0 217.265 0.517 20 0 BCADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@@H](O)C1)C1CC1 ZINC000909075984 639144559 /nfs/dbraw/zinc/14/45/59/639144559.db2.gz SZOOMFPZVKHJSJ-YIZRAAEISA-N -1 0 227.260 0.127 20 0 BCADRM CC(C)(O)CCC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000909080377 639144934 /nfs/dbraw/zinc/14/49/34/639144934.db2.gz UBXXVASPXKHBIY-SECBINFHSA-N -1 0 243.303 0.907 20 0 BCADRM CC[C@@H](NC(=O)[C@]1(C)CCCCO1)C(=O)[O-] ZINC000909121055 639149308 /nfs/dbraw/zinc/14/93/08/639149308.db2.gz KODJWSIKHDNBHM-KCJUWKMLSA-N -1 0 229.276 0.925 20 0 BCADRM CC[C@H](NC(=O)[C@@H](OC)C(C)C)C(=O)[O-] ZINC000909120682 639149481 /nfs/dbraw/zinc/14/94/81/639149481.db2.gz CZEQHEVGBDRQTQ-YUMQZZPRSA-N -1 0 217.265 0.637 20 0 BCADRM CC[C@H](NC(=O)c1cccc2ncnn21)C(=O)[O-] ZINC000909120540 639149638 /nfs/dbraw/zinc/14/96/38/639149638.db2.gz XIDOPMPCGGEVRH-ZETCQYMHSA-N -1 0 248.242 0.322 20 0 BCADRM CC[C@H](NC(=O)c1cnc(NC)s1)C(=O)[O-] ZINC000909120336 639149738 /nfs/dbraw/zinc/14/97/38/639149738.db2.gz TUPJNUKIQGZWPH-YFKPBYRVSA-N -1 0 243.288 0.778 20 0 BCADRM CC[C@@H](NC(=O)[C@@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000909119371 639149830 /nfs/dbraw/zinc/14/98/30/639149830.db2.gz HVWKUCFMUIVDBA-SFYZADRCSA-N -1 0 229.276 0.923 20 0 BCADRM CCC[C@@H](OC)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000909121024 639149863 /nfs/dbraw/zinc/14/98/63/639149863.db2.gz JVVNSGRCKKHQPJ-JGVFFNPUSA-N -1 0 217.265 0.781 20 0 BCADRM CC[C@H](NC(=O)CCc1cncnc1)C(=O)[O-] ZINC000909120924 639149996 /nfs/dbraw/zinc/14/99/96/639149996.db2.gz IFJIPRRTNUERJS-VIFPVBQESA-N -1 0 237.259 0.389 20 0 BCADRM CC[C@H](NC(=O)C[C@@](C)(O)C1CC1)C(=O)[O-] ZINC000909123131 639150432 /nfs/dbraw/zinc/15/04/32/639150432.db2.gz MWLNGMHPMAFERX-GZMMTYOYSA-N -1 0 229.276 0.517 20 0 BCADRM CC[C@H](NC(=O)[C@H]1C[C@@]12CCOC2)C(=O)[O-] ZINC000909121887 639150476 /nfs/dbraw/zinc/15/04/76/639150476.db2.gz GYLJAXJJDWUBJP-VHSKPIJISA-N -1 0 227.260 0.392 20 0 BCADRM CC[C@@H](NC(=O)C(CC)(CC)CO)C(=O)[O-] ZINC000909122398 639150972 /nfs/dbraw/zinc/15/09/72/639150972.db2.gz XFERVEVBGSEACC-MRVPVSSYSA-N -1 0 231.292 0.765 20 0 BCADRM CC[C@H](NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1)C(=O)[O-] ZINC000909122646 639151097 /nfs/dbraw/zinc/15/10/97/639151097.db2.gz DGSSVBMRPSUNGJ-YIZRAAEISA-N -1 0 241.287 0.971 20 0 BCADRM CCCn1cc(C(=O)N[C@@H](CC)C(=O)[O-])nn1 ZINC000909123372 639151286 /nfs/dbraw/zinc/15/12/86/639151286.db2.gz TVVGEGOPZPMXDR-ZETCQYMHSA-N -1 0 240.263 0.281 20 0 BCADRM C[C@H](NC(=O)[C@@]12CCO[C@@H]1CCCC2)C(=O)[O-] ZINC000909129589 639151929 /nfs/dbraw/zinc/15/19/29/639151929.db2.gz APUXKLSEJSSDGC-SBMIAAHKSA-N -1 0 241.287 0.925 20 0 BCADRM CCCc1nc(C(=O)N[C@@H](C)C(=O)[O-])co1 ZINC000909129799 639152080 /nfs/dbraw/zinc/15/20/80/639152080.db2.gz ASYCDRVCTAXZPM-LURJTMIESA-N -1 0 226.232 0.830 20 0 BCADRM Cc1nc(C)c(C(=O)N[C@@H](C)C(=O)[O-])[nH]1 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20 0 BCADRM CO[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000909131255 639154895 /nfs/dbraw/zinc/15/48/95/639154895.db2.gz RFWANMSAUKBGRP-IWSPIJDZSA-N -1 0 229.276 0.781 20 0 BCADRM CCc1cc(C(=O)N[C@H](C)C(=O)[O-])c(C)nn1 ZINC000909132271 639154975 /nfs/dbraw/zinc/15/49/75/639154975.db2.gz QKXTVPSZVFPWGA-SSDOTTSWSA-N -1 0 237.259 0.550 20 0 BCADRM Cc1cncc(CCC(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000909131834 639155070 /nfs/dbraw/zinc/15/50/70/639155070.db2.gz XRHAQCBDSNGJJS-VIFPVBQESA-N -1 0 236.271 0.912 20 0 BCADRM Cc1nc(C(=O)N(C)C[C@H](C)C(=O)[O-])co1 ZINC000909150099 639157083 /nfs/dbraw/zinc/15/70/83/639157083.db2.gz UQWHDFVOPHAGBU-LURJTMIESA-N -1 0 226.232 0.776 20 0 BCADRM C[C@H](CN(C)C(=O)c1csc(=O)[nH]1)C(=O)[O-] ZINC000909150554 639157226 /nfs/dbraw/zinc/15/72/26/639157226.db2.gz USNCZGDCCASFSX-RXMQYKEDSA-N -1 0 244.272 0.641 20 0 BCADRM C[C@H](CN(C)C(=O)[C@]1(O)CCSC1)C(=O)[O-] ZINC000909150296 639157877 /nfs/dbraw/zinc/15/78/77/639157877.db2.gz QYHIQXUOZSYKKD-XCBNKYQSSA-N -1 0 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CCC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]1 ZINC000049249418 411229722 /nfs/dbraw/zinc/22/97/22/411229722.db2.gz OSVIINDCLBMLDC-LURJTMIESA-N -1 0 212.253 0.771 20 0 BCADRM Cc1ncsc1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000070837030 411232149 /nfs/dbraw/zinc/23/21/49/411232149.db2.gz OWWYXBHEXVJURA-BQBZGAKWSA-N -1 0 240.284 0.788 20 0 BCADRM O=C([O-])c1cnc(NC[C@H]2CC[C@H](O)C2)nc1 ZINC000310304992 411232415 /nfs/dbraw/zinc/23/24/15/411232415.db2.gz OQNYDFHHJUATSO-CBAPKCEASA-N -1 0 237.259 0.748 20 0 BCADRM CCC[C@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655974354 411165697 /nfs/dbraw/zinc/16/56/97/411165697.db2.gz BAOGNTHBSSAQFO-SFYZADRCSA-N -1 0 244.291 0.128 20 0 BCADRM CCC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655974352 411166241 /nfs/dbraw/zinc/16/62/41/411166241.db2.gz BAOGNTHBSSAQFO-HTQZYQBOSA-N -1 0 244.291 0.128 20 0 BCADRM CC[C@H](NC(=O)[C@@H]1CCCCO1)C(=O)[O-] ZINC000050959292 411269326 /nfs/dbraw/zinc/26/93/26/411269326.db2.gz PGRYEVGVKVKBBK-YUMQZZPRSA-N -1 0 215.249 0.535 20 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0.224 20 0 BCADRM O=C([O-])c1cncc(NC2(CO)CCC2)n1 ZINC000129580026 411311832 /nfs/dbraw/zinc/31/18/32/411311832.db2.gz HBRBNARSFSENDI-UHFFFAOYSA-N -1 0 223.232 0.502 20 0 BCADRM CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@@H]1CCCOC1 ZINC000402794032 411315990 /nfs/dbraw/zinc/31/59/90/411315990.db2.gz MCXZWXRCGMKKHD-OPRDCNLKSA-N -1 0 241.287 0.735 20 0 BCADRM CCCS(=O)(=O)[N-]c1nccs1 ZINC000045929237 411320158 /nfs/dbraw/zinc/32/01/58/411320158.db2.gz IYZCBWASJGNUFB-UHFFFAOYSA-N -1 0 206.292 1.295 20 0 BCADRM CCC[C@@H](C)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000050213037 411254115 /nfs/dbraw/zinc/25/41/15/411254115.db2.gz VSXJSNZCFYQPLB-SSDOTTSWSA-N -1 0 240.263 0.281 20 0 BCADRM COC[C@@H](OC)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659135617 411372919 /nfs/dbraw/zinc/37/29/19/411372919.db2.gz KKFPGZOHFRRKPS-MRVPVSSYSA-N -1 0 245.275 0.019 20 0 BCADRM C[C@@H](NC(=O)C[C@H](C)[C@@H]1CCCO1)C(=O)[O-] ZINC000659134433 411372978 /nfs/dbraw/zinc/37/29/78/411372978.db2.gz GCYOMLPMSFICSX-YIZRAAEISA-N -1 0 229.276 0.781 20 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411411398 /nfs/dbraw/zinc/41/13/98/411411398.db2.gz RQAMLNRZJROBBS-BDAKNGLRSA-N -1 0 244.291 0.718 20 0 BCADRM C[C@@H](NC(=O)NCCC(=O)[O-])c1nccn1C ZINC000659406462 411411495 /nfs/dbraw/zinc/41/14/95/411411495.db2.gz QWHOVANYKSLOAV-SSDOTTSWSA-N -1 0 240.263 0.255 20 0 BCADRM C[C@@H]1CCC[C@H](CNC(=O)NCCC(=O)[O-])O1 ZINC000659406103 411412124 /nfs/dbraw/zinc/41/21/24/411412124.db2.gz RQAMLNRZJROBBS-RKDXNWHRSA-N -1 0 244.291 0.718 20 0 BCADRM COCC1(CNc2nc(C(=O)[O-])co2)CC1 ZINC000653501926 411414261 /nfs/dbraw/zinc/41/42/61/411414261.db2.gz OXJZIJZVORGAIR-UHFFFAOYSA-N -1 0 226.232 0.633 20 0 BCADRM O=C([O-])CCNC(=O)N[C@]12C[C@H]1CCC2 ZINC000659405236 411417780 /nfs/dbraw/zinc/41/77/80/411417780.db2.gz KGEBNNFGSSXBKB-GMSGAONNSA-N -1 0 212.249 0.703 20 0 BCADRM O=C([O-])c1coc(NCCC2CC(O)C2)n1 ZINC000581729381 411418535 /nfs/dbraw/zinc/41/85/35/411418535.db2.gz VBCGYGYXOZUNRG-UHFFFAOYSA-N -1 0 226.232 0.946 20 0 BCADRM Cc1c(-c2cc(C(=O)[O-])n(C)n2)cnn1C ZINC000657206153 411418623 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ZINC000659773515 411452495 /nfs/dbraw/zinc/45/24/95/411452495.db2.gz XBALWKUIPFYVRS-ZETCQYMHSA-N -1 0 226.232 0.918 20 0 BCADRM CCN(C(=O)[C@@H]1CCCOC1)[C@H](C)C(=O)[O-] ZINC000659773186 411452528 /nfs/dbraw/zinc/45/25/28/411452528.db2.gz VHIQFUIIRWXETJ-RKDXNWHRSA-N -1 0 229.276 0.735 20 0 BCADRM CCN(C(=O)c1ccc[nH]1)[C@@H](C)C(=O)[O-] ZINC000659777337 411453001 /nfs/dbraw/zinc/45/30/01/411453001.db2.gz YMFMKQGPOKWJBX-ZETCQYMHSA-N -1 0 210.233 0.950 20 0 BCADRM CC1(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000659778487 411453037 /nfs/dbraw/zinc/45/30/37/411453037.db2.gz IYOWNRQQTHRSHZ-PRHODGIISA-N -1 0 239.271 0.346 20 0 BCADRM C[C@H](C(=O)[O-])C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000659782832 411453557 /nfs/dbraw/zinc/45/35/57/411453557.db2.gz HHGLDVQBGMHZKU-RNSXUZJQSA-N -1 0 227.260 0.202 20 0 BCADRM C[C@H](C(=O)[O-])C(=O)NC[C@@]1(C)CC1(F)F ZINC000659783591 411453638 /nfs/dbraw/zinc/45/36/38/411453638.db2.gz RXOHABUQDSSUGX-YLWLKBPMSA-N -1 0 221.203 0.869 20 0 BCADRM C[C@H](C(=O)[O-])C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000659784005 411453796 /nfs/dbraw/zinc/45/37/96/411453796.db2.gz WTIBZBOMNGCKPA-HRDYMLBCSA-N -1 0 229.276 0.781 20 0 BCADRM C[C@@H](C(=O)[O-])C(=O)NCCc1ccoc1 ZINC000659782701 411453954 /nfs/dbraw/zinc/45/39/54/411453954.db2.gz FBCQFPZAEXIRRR-SSDOTTSWSA-N -1 0 211.217 0.659 20 0 BCADRM O=C([O-])c1ccc(N2CC[C@@H]3COC[C@@H]3C2)nn1 ZINC000659787453 411454207 /nfs/dbraw/zinc/45/42/07/411454207.db2.gz LGMNMCLASGCLQW-BDAKNGLRSA-N -1 0 249.270 0.648 20 0 BCADRM CO[C@@]1(C)C[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC000659787801 411454405 /nfs/dbraw/zinc/45/44/05/411454405.db2.gz FIYWUOAOANHHIG-XCBNKYQSSA-N -1 0 223.232 0.764 20 0 BCADRM CO[C@@]1(C)C[C@H]1Nc1ccc(C(=O)[O-])nn1 ZINC000659787545 411454603 /nfs/dbraw/zinc/45/46/03/411454603.db2.gz BYDCCFIEDWPDEK-XCBNKYQSSA-N -1 0 223.232 0.764 20 0 BCADRM O=C([O-])c1cncc(N2CC[C@H]3COC[C@H]3C2)n1 ZINC000659787622 411454749 /nfs/dbraw/zinc/45/47/49/411454749.db2.gz NOAWKPLKIWXMQQ-DTWKUNHWSA-N -1 0 249.270 0.648 20 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ZINC000040726107 176157390 /nfs/dbraw/zinc/15/73/90/176157390.db2.gz SVAINEKCNBKCFX-MRVPVSSYSA-N -1 0 214.265 0.855 20 0 BCADRM COCC1(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000678721521 487633163 /nfs/dbraw/zinc/63/31/63/487633163.db2.gz GXIZRAHTXKDDPB-UHFFFAOYSA-N -1 0 212.253 0.121 20 0 BCADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1ncccc1O ZINC000195146728 176184178 /nfs/dbraw/zinc/18/41/78/176184178.db2.gz VMXNGJOCWJCEEY-APPZFPTMSA-N -1 0 249.270 0.042 20 0 BCADRM C[C@@H]1CCOCCN1C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000367158000 176188248 /nfs/dbraw/zinc/18/82/48/176188248.db2.gz QKGADQUUFWMBDN-UTLUCORTSA-N -1 0 241.287 0.735 20 0 BCADRM CC[C@@H]1CC[C@@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1 ZINC000668296794 487633231 /nfs/dbraw/zinc/63/32/31/487633231.db2.gz YMCAQYRMKDDCKX-KYXWUPHJSA-N -1 0 241.287 0.923 20 0 BCADRM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C(=O)[O-] ZINC000104201529 176243686 /nfs/dbraw/zinc/24/36/86/176243686.db2.gz CGWOYQKQWHKIQM-PSASIEDQSA-N -1 0 241.287 0.592 20 0 BCADRM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000104201525 176243723 /nfs/dbraw/zinc/24/37/23/176243723.db2.gz CGWOYQKQWHKIQM-SCZZXKLOSA-N -1 0 241.287 0.592 20 0 BCADRM C[C@@H]1CN(C(=O)NCCC(=O)[O-])C[C@@H](C)O1 ZINC000040530655 176250551 /nfs/dbraw/zinc/25/05/51/176250551.db2.gz HIVYMDXDSFPDKF-HTQZYQBOSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@@H]1CN(C(=O)NCCCC(=O)[O-])CCS1 ZINC000123606863 176250910 /nfs/dbraw/zinc/25/09/10/176250910.db2.gz LMUYPZDALKWMBG-MRVPVSSYSA-N -1 0 246.332 0.998 20 0 BCADRM C[C@@H]1CN(C(=O)c2ccco2)C[C@@H](C(=O)[O-])O1 ZINC000237489196 176262868 /nfs/dbraw/zinc/26/28/68/176262868.db2.gz NWTMUORNNIKVKM-APPZFPTMSA-N -1 0 239.227 0.594 20 0 BCADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@@]1(C)CCCO1 ZINC000227439967 176500921 /nfs/dbraw/zinc/50/09/21/176500921.db2.gz ZQCFTYKABCNOOP-KBVBSXBZSA-N -1 0 241.287 0.877 20 0 BCADRM C[C@@](NC(=O)c1cn[nH]c1)(C(=O)[O-])C1CC1 ZINC000036778304 176513230 /nfs/dbraw/zinc/51/32/30/176513230.db2.gz CGPYQBVCDLCUKW-JTQLQIEISA-N -1 0 223.232 0.393 20 0 BCADRM CC(C)(C)[C@H](O)CNc1cncc(C(=O)[O-])n1 ZINC000324608225 487634167 /nfs/dbraw/zinc/63/41/67/487634167.db2.gz LCYQZDZFNPNNSO-MRVPVSSYSA-N -1 0 239.275 0.994 20 0 BCADRM C[C@H](C(=O)NCC(=O)[O-])c1ccccc1 ZINC000058856151 176570545 /nfs/dbraw/zinc/57/05/45/176570545.db2.gz FBHMOCFYDPRJPI-QMMMGPOBSA-N -1 0 207.229 0.991 20 0 BCADRM C[C@H](CN(C)C(=O)[C@H]1CCCCO1)C(=O)[O-] ZINC000050959626 176649106 /nfs/dbraw/zinc/64/91/06/176649106.db2.gz SGTSOWVJEBDQHC-RKDXNWHRSA-N -1 0 229.276 0.735 20 0 BCADRM C[C@H](CN(C)C(=O)c1cnn(C)c1)C(=O)[O-] ZINC000042695007 176649246 /nfs/dbraw/zinc/64/92/46/176649246.db2.gz QZYYDXJTSFEMKA-SSDOTTSWSA-N -1 0 225.248 0.213 20 0 BCADRM C[C@H](CNC(=O)N1CCCC1)C(=O)[O-] ZINC000054335458 176673869 /nfs/dbraw/zinc/67/38/69/176673869.db2.gz UVMMSAXBSYFIAD-SSDOTTSWSA-N -1 0 200.238 0.513 20 0 BCADRM C[C@H](NC(=O)NCc1cccnc1)C(=O)[O-] ZINC000006389487 176803028 /nfs/dbraw/zinc/80/30/28/176803028.db2.gz RCURWZUGDODMJC-ZETCQYMHSA-N -1 0 223.232 0.354 20 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20 0 BCADRM C[C@H]1CN(C(=O)NCCC(=O)[O-])CCCO1 ZINC000061937238 177219784 /nfs/dbraw/zinc/21/97/84/177219784.db2.gz FVPWNCZSNXIREA-QMMMGPOBSA-N -1 0 230.264 0.282 20 0 BCADRM C[C@H]1CN(C(=O)NCCCC(=O)[O-])CCS1 ZINC000123607067 177220019 /nfs/dbraw/zinc/22/00/19/177220019.db2.gz LMUYPZDALKWMBG-QMMMGPOBSA-N -1 0 246.332 0.998 20 0 BCADRM C[C@H]1C[C@@H]1NC(=O)c1cccc(C(=O)[O-])n1 ZINC000052298829 177349083 /nfs/dbraw/zinc/34/90/83/177349083.db2.gz GLBWTWHSLAWHJJ-RCOVLWMOSA-N -1 0 220.228 0.918 20 0 BCADRM C[C@@H]1C[C@@H](CCNC(=O)C(=O)[O-])C[C@H](C)O1 ZINC000309712293 177360173 /nfs/dbraw/zinc/36/01/73/177360173.db2.gz XNWUHLBXEUUEOX-AYMMMOKOSA-N -1 0 229.276 0.781 20 0 BCADRM C[C@H]1C[C@H](CCNC(=O)C(=O)[O-])CCO1 ZINC000336752385 177360541 /nfs/dbraw/zinc/36/05/41/177360541.db2.gz GVDGFXHPBCTCTC-JGVFFNPUSA-N -1 0 215.249 0.392 20 0 BCADRM C[C@H]1C[C@H]1NC(=O)NCCCC(=O)[O-] ZINC000052296660 177383290 /nfs/dbraw/zinc/38/32/90/177383290.db2.gz PCQFDCCNFFPXBG-NKWVEPMBSA-N -1 0 200.238 0.559 20 0 BCADRM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)[O-] ZINC000336595777 177423579 /nfs/dbraw/zinc/42/35/79/177423579.db2.gz OCYXJDQINAJYJT-CRCLSJGQSA-N -1 0 225.166 0.870 20 0 BCADRM C[C@]1(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCO1 ZINC000228201104 177456339 /nfs/dbraw/zinc/45/63/39/177456339.db2.gz DGNDPEVNYUIUCX-VDDIYKPWSA-N -1 0 241.287 0.925 20 0 BCADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(N)n2)C1 ZINC000345561820 177457904 /nfs/dbraw/zinc/45/79/04/177457904.db2.gz MOCHJVZDEXJMEX-LBPRGKRZSA-N -1 0 249.270 0.601 20 0 BCADRM COCCC(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000668309593 487638712 /nfs/dbraw/zinc/63/87/12/487638712.db2.gz ABGSMOAXVXLLPF-JTQLQIEISA-N -1 0 245.275 0.019 20 0 BCADRM CO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000668306030 487639395 /nfs/dbraw/zinc/63/93/95/487639395.db2.gz ACXGOYZTHLQSRR-IONNQARKSA-N -1 0 245.275 0.017 20 0 BCADRM CN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCOC2 ZINC000659116687 487639743 /nfs/dbraw/zinc/63/97/43/487639743.db2.gz DEZUEXNJULKZPZ-UHFFFAOYSA-N -1 0 249.266 0.916 20 0 BCADRM CCCC(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000668311489 487640139 /nfs/dbraw/zinc/64/01/39/487640139.db2.gz WQDQMYQXONEXHC-SNVBAGLBSA-N -1 0 229.276 0.783 20 0 BCADRM O=C(/C=C\C1CC1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000491904205 224658488 /nfs/dbraw/zinc/65/84/88/224658488.db2.gz BIDVHEWOWCJGNY-ZBJFTSOASA-N -1 0 245.300 0.188 20 0 BCADRM C[C@@H](CC(=O)[O-])NC(=O)/C=C/c1ccncn1 ZINC000493303238 226180726 /nfs/dbraw/zinc/18/07/26/226180726.db2.gz MRRILUXLAPGDHE-SGJFDWMWSA-N -1 0 235.243 0.469 20 0 BCADRM CCn1nccc1/C=C/C(=O)N(C)CC(=O)[O-] ZINC000493040968 226110011 /nfs/dbraw/zinc/11/00/11/226110011.db2.gz VKSRCBWXMXOKCS-SNAWJCMRSA-N -1 0 237.259 0.459 20 0 BCADRM CO[C@H](CNC(=O)/C=C\C1CCCC1)C(=O)[O-] ZINC000493223378 226159466 /nfs/dbraw/zinc/15/94/66/226159466.db2.gz MJYDSZSNFAPKQH-JYESYGNLSA-N -1 0 241.287 0.949 20 0 BCADRM C[C@@](O)(CNC(=O)/C=C\C1CCCC1)C(=O)[O-] ZINC000493746172 226252133 /nfs/dbraw/zinc/25/21/33/226252133.db2.gz NIMIMSMAPZLTPD-ZHRWSRJISA-N -1 0 241.287 0.685 20 0 BCADRM C[C@](O)(CNC(=O)/C=C/C1CCCC1)C(=O)[O-] ZINC000493746170 226252169 /nfs/dbraw/zinc/25/21/69/226252169.db2.gz NIMIMSMAPZLTPD-SYTKJHMZSA-N -1 0 241.287 0.685 20 0 BCADRM CCn1nccc1/C=C\C(=O)N[C@H](C)C(=O)[O-] ZINC000493850032 226257239 /nfs/dbraw/zinc/25/72/39/226257239.db2.gz GCUMSQLEOXEECG-PULIVWKDSA-N -1 0 237.259 0.506 20 0 BCADRM O=C([O-])[C@@H]1CCN(C(=O)OC[C@@H]2CCCO2)C1 ZINC000496711198 226312283 /nfs/dbraw/zinc/31/22/83/226312283.db2.gz ADGPFFNSGWATLY-BDAKNGLRSA-N -1 0 243.259 0.709 20 0 BCADRM C[C@H]1OC(=O)N[C@H]1C(=O)[N-]OCCC(C)(C)C ZINC000497084186 226321861 /nfs/dbraw/zinc/32/18/61/226321861.db2.gz SZEIHMNSVBJGGK-HTQZYQBOSA-N -1 0 244.291 0.967 20 0 BCADRM O=C([O-])CCCCCNC(=O)c1nnc[nH]1 ZINC000082504605 487649280 /nfs/dbraw/zinc/64/92/80/487649280.db2.gz CDXNWPODVZLRNK-UHFFFAOYSA-N -1 0 226.236 0.180 20 0 BCADRM COCCCCNC(=O)NCCCCC(=O)[O-] ZINC000070200940 487653992 /nfs/dbraw/zinc/65/39/92/487653992.db2.gz APEBQLLZPKGWQV-UHFFFAOYSA-N -1 0 246.307 0.967 20 0 BCADRM 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587245467 /nfs/dbraw/zinc/24/54/67/587245467.db2.gz IGMFTDGPAGAGQY-UHFFFAOYSA-N -1 0 200.238 0.559 20 0 BCADRM CC(C)(CNC(=O)[C@]1(C)CCCO1)NC(=O)[O-] ZINC000823900330 587245688 /nfs/dbraw/zinc/24/56/88/587245688.db2.gz IDZPPHJDLHYFBC-NSHDSACASA-N -1 0 244.291 0.718 20 0 BCADRM CC(C)(CNC(=O)NCC1CC1)NC(=O)[O-] ZINC000823930946 587245957 /nfs/dbraw/zinc/24/59/57/587245957.db2.gz RVBDGLTZDPYROE-UHFFFAOYSA-N -1 0 229.280 0.742 20 0 BCADRM CC(C)(CNC(=O)[O-])NC(=O)N1CCOCC1 ZINC000823979068 587247648 /nfs/dbraw/zinc/24/76/48/587247648.db2.gz NXNLSYPCJJCHRG-UHFFFAOYSA-N -1 0 245.279 0.074 20 0 BCADRM CC(C)(CNC(=O)[O-])C(=O)OCCF ZINC000823973394 587247871 /nfs/dbraw/zinc/24/78/71/587247871.db2.gz SGLMZLXOAJZHNZ-UHFFFAOYSA-N -1 0 207.201 0.793 20 0 BCADRM CC(C)(CNC(=O)[O-])NC(=O)[C@@]1(C)CCCO1 ZINC000823978903 587247885 /nfs/dbraw/zinc/24/78/85/587247885.db2.gz LSIGFBYAQKMWFI-LLVKDONJSA-N -1 0 244.291 0.718 20 0 BCADRM CC(C)(CNc1cnccn1)NC(=O)[O-] ZINC000824011512 587248163 /nfs/dbraw/zinc/24/81/63/587248163.db2.gz QSZIECNESSDQHL-UHFFFAOYSA-N -1 0 210.237 0.935 20 0 BCADRM CC(C)(NC(=O)[O-])C(=O)NC1CC=CC1 ZINC000824020719 587248436 /nfs/dbraw/zinc/24/84/36/587248436.db2.gz WOTMGJHRGSEHIS-UHFFFAOYSA-N -1 0 212.249 0.867 20 0 BCADRM CC(C)(NC(=O)[O-])C(=O)OCCc1cn[nH]c1 ZINC000824025097 587248994 /nfs/dbraw/zinc/24/89/94/587248994.db2.gz MFYHYIFNTKTIQB-UHFFFAOYSA-N -1 0 241.247 0.542 20 0 BCADRM CC(C)(NC(=O)[O-])C(=O)OC[C@H]1COC(=O)O1 ZINC000824025426 587249034 /nfs/dbraw/zinc/24/90/34/587249034.db2.gz QKQOCYUDTWGDLH-YFKPBYRVSA-N -1 0 247.203 0.111 20 0 BCADRM CC(C)(O)CNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000824035721 587250235 /nfs/dbraw/zinc/25/02/35/587250235.db2.gz ZRJQMKXCAXMLLK-YUMQZZPRSA-N -1 0 244.291 0.310 20 0 BCADRM CCCO[N-]C(=O)[C@H]1CCCCN(C)C1=O ZINC000824041096 587250788 /nfs/dbraw/zinc/25/07/88/587250788.db2.gz HEVPRHQRBXODAA-SECBINFHSA-N -1 0 228.292 0.703 20 0 BCADRM CC(C)C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000824049279 587251671 /nfs/dbraw/zinc/25/16/71/587251671.db2.gz JOFOTMVKTMDQOT-QMMMGPOBSA-N -1 0 229.232 0.507 20 0 BCADRM CC(C)[C@@](C)(O)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000824064857 587253190 /nfs/dbraw/zinc/25/31/90/587253190.db2.gz PGEBYJLHSXGNEN-NSHDSACASA-N -1 0 246.307 0.556 20 0 BCADRM CC(C)[C@@H](C)NC(=O)C1(NC(=O)[O-])CC1 ZINC000824072418 587253741 /nfs/dbraw/zinc/25/37/41/587253741.db2.gz RUDVNHWZHVEUNV-SSDOTTSWSA-N -1 0 214.265 0.947 20 0 BCADRM CC(C)[C@H](CCN(C)C(N)=O)NC(=O)[O-] ZINC000824097766 587255349 /nfs/dbraw/zinc/25/53/49/587255349.db2.gz ATHVVDKTPOSXOH-ZETCQYMHSA-N -1 0 217.269 0.679 20 0 BCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H](O)C1CC1 ZINC000824136578 587257529 /nfs/dbraw/zinc/25/75/29/587257529.db2.gz LREDQZTZFADJND-RKDXNWHRSA-N -1 0 244.291 0.166 20 0 BCADRM CC(C)(CO)CNc1cnccc1-c1nn[nH]n1 ZINC000824162043 587258828 /nfs/dbraw/zinc/25/88/28/587258828.db2.gz BUXQCMUQJAKOLA-UHFFFAOYSA-N -1 0 248.290 0.692 20 0 BCADRM CC(C)C[C@H](O)CNC(=O)[C@H](C)NC(=O)[O-] ZINC000824217993 587260851 /nfs/dbraw/zinc/26/08/51/587260851.db2.gz JLFOZBUASZRNFF-YUMQZZPRSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)CCNC(=O)C1(NC(=O)[O-])CC1 ZINC000824238592 587262341 /nfs/dbraw/zinc/26/23/41/587262341.db2.gz IRXHOJONHINDCZ-UHFFFAOYSA-N -1 0 214.265 0.949 20 0 BCADRM CC(C)CN(C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000824251992 587263259 /nfs/dbraw/zinc/26/32/59/587263259.db2.gz SDZFUIGJBASFRQ-UHFFFAOYSA-N -1 0 229.280 0.646 20 0 BCADRM CC(C)CNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000824264327 587263948 /nfs/dbraw/zinc/26/39/48/587263948.db2.gz XZSXEESJVCFSHM-MRVPVSSYSA-N -1 0 230.264 0.137 20 0 BCADRM CC(C)N(C(=O)CONC(=O)[O-])C(C)C ZINC000824324267 587266430 /nfs/dbraw/zinc/26/64/30/587266430.db2.gz SPUNIEPOJKUSCP-UHFFFAOYSA-N -1 0 218.253 0.831 20 0 BCADRM CC(C)NC(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000824367374 587267522 /nfs/dbraw/zinc/26/75/22/587267522.db2.gz FXMHMXJTUFDCMI-VIFPVBQESA-N -1 0 243.307 0.195 20 0 BCADRM CC(C)NC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000824368585 587267782 /nfs/dbraw/zinc/26/77/82/587267782.db2.gz NNWCGIWIDVJDFQ-SSDOTTSWSA-N -1 0 202.254 0.757 20 0 BCADRM C[C@H](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)NC(=O)[O-] ZINC000824565838 587276551 /nfs/dbraw/zinc/27/65/51/587276551.db2.gz SJDBOIFVCOSQRL-HLTSFMKQSA-N -1 0 244.291 0.668 20 0 BCADRM C[C@@H](CC(=O)N[C@H]1CCCOC1)NC(=O)[O-] ZINC000824621985 587277948 /nfs/dbraw/zinc/27/79/48/587277948.db2.gz JDEJPLPFXHQABL-YUMQZZPRSA-N -1 0 230.264 0.328 20 0 BCADRM C[C@H](CC(=O)N1CCO[C@H](C)[C@@H]1C)NC(=O)[O-] ZINC000824600547 587278803 /nfs/dbraw/zinc/27/88/03/587278803.db2.gz YXTDINPYAUIKJH-HRDYMLBCSA-N -1 0 244.291 0.668 20 0 BCADRM C[C@H](CC(=O)N1CCOC[C@H]1C)NC(=O)[O-] ZINC000824598658 587278872 /nfs/dbraw/zinc/27/88/72/587278872.db2.gz GKRLAHOGJBUDOE-HTQZYQBOSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@@H](CC(=O)N1CCOC(C)(C)C1)NC(=O)[O-] ZINC000824599367 587278942 /nfs/dbraw/zinc/27/89/42/587278942.db2.gz NIQYQYSRHUTTAO-QMMMGPOBSA-N -1 0 244.291 0.670 20 0 BCADRM C[C@H](CC(=O)N[C@@H](C)[C@H]1CCOC1)NC(=O)[O-] ZINC000824605602 587279036 /nfs/dbraw/zinc/27/90/36/587279036.db2.gz KKHAAIHHFAADJD-VGMNWLOBSA-N -1 0 244.291 0.574 20 0 BCADRM C[C@@H](CC(=O)N[C@@H]1CCCOC1)NC(=O)[O-] ZINC000824621983 587279824 /nfs/dbraw/zinc/27/98/24/587279824.db2.gz JDEJPLPFXHQABL-JGVFFNPUSA-N -1 0 230.264 0.328 20 0 BCADRM C[C@H](CC(=O)NC[C@@]1(C)CCCO1)NC(=O)[O-] ZINC000824628066 587280107 /nfs/dbraw/zinc/28/01/07/587280107.db2.gz CYSRZFWNORLNRX-LDYMZIIASA-N -1 0 244.291 0.718 20 0 BCADRM CC(C)[C@@H](O)CNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824629800 587280216 /nfs/dbraw/zinc/28/02/16/587280216.db2.gz RSEGHRJEOSAFIJ-SFYZADRCSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)[C@H](O)CNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824629797 587280344 /nfs/dbraw/zinc/28/03/44/587280344.db2.gz RSEGHRJEOSAFIJ-HTQZYQBOSA-N -1 0 232.280 0.166 20 0 BCADRM C[C@H](CC(=O)NCc1ccc[nH]1)NC(=O)[O-] ZINC000824664847 587282078 /nfs/dbraw/zinc/28/20/78/587282078.db2.gz PDEDXUXWRWCTOS-SSDOTTSWSA-N -1 0 225.248 0.677 20 0 BCADRM C[C@@H](CC(=O)NCc1nccs1)NC(=O)[O-] ZINC000824672532 587282137 /nfs/dbraw/zinc/28/21/37/587282137.db2.gz YOMNLSQVRIZISK-LURJTMIESA-N -1 0 243.288 0.806 20 0 BCADRM C[C@@H](O)C[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC000824698845 587283651 /nfs/dbraw/zinc/28/36/51/587283651.db2.gz OTBIZWUREUHSLN-RNFRBKRXSA-N -1 0 249.278 0.228 20 0 BCADRM C[C@H](CC(=O)Nc1ccn(C)n1)NC(=O)[O-] ZINC000824703828 587283681 /nfs/dbraw/zinc/28/36/81/587283681.db2.gz SERHVERPFFYSOL-ZCFIWIBFSA-N -1 0 226.236 0.405 20 0 BCADRM C[C@@H](CC(=O)Nc1ccnn1C)NC(=O)[O-] ZINC000824710473 587283992 /nfs/dbraw/zinc/28/39/92/587283992.db2.gz IYMWFSCOTDZEQL-LURJTMIESA-N -1 0 226.236 0.405 20 0 BCADRM C[C@H](CC(=O)OCC1CC1)NC(=O)[O-] ZINC000824730516 587284636 /nfs/dbraw/zinc/28/46/36/587284636.db2.gz XXLPBYAKQIPGPY-ZCFIWIBFSA-N -1 0 201.222 0.986 20 0 BCADRM C[C@@H](CCCO)NC(=O)CC(C)(C)NC(=O)[O-] ZINC000824775559 587286722 /nfs/dbraw/zinc/28/67/22/587286722.db2.gz DOQMQOKNFHNESH-QMMMGPOBSA-N -1 0 246.307 0.700 20 0 BCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)CCCO ZINC000824775762 587286877 /nfs/dbraw/zinc/28/68/77/587286877.db2.gz HANWZMYDIMCLLS-DTWKUNHWSA-N -1 0 246.307 0.556 20 0 BCADRM C[C@H](CCNC(=O)[C@@H]1CCCCO1)NC(=O)[O-] ZINC000824786575 587287366 /nfs/dbraw/zinc/28/73/66/587287366.db2.gz OCNIRXIXSXOWPU-BDAKNGLRSA-N -1 0 244.291 0.718 20 0 BCADRM C[C@H](CCNC(=O)Cn1ccnc1)NC(=O)[O-] ZINC000824787303 587287732 /nfs/dbraw/zinc/28/77/32/587287732.db2.gz VMBTYBXFHSBIIB-MRVPVSSYSA-N -1 0 240.263 0.046 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC1 ZINC000824832523 587287913 /nfs/dbraw/zinc/28/79/13/587287913.db2.gz JQEFIWFQNRXURA-ZETCQYMHSA-N -1 0 200.238 0.465 20 0 BCADRM C[C@H](CCO)CNC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000824801936 587288140 /nfs/dbraw/zinc/28/81/40/587288140.db2.gz HBPWPVYDWZNBCH-RKDXNWHRSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000824808985 587288281 /nfs/dbraw/zinc/28/82/81/587288281.db2.gz CNELGVNTWQLZQJ-YUMQZZPRSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N(C)CC(F)F ZINC000824823127 587288628 /nfs/dbraw/zinc/28/86/28/587288628.db2.gz DHUXGUPVKOXROS-LURJTMIESA-N -1 0 238.234 0.956 20 0 BCADRM C[C@@H](CCO)NC(=O)C1CCN(C(=O)[O-])CC1 ZINC000824809973 587288736 /nfs/dbraw/zinc/28/87/36/587288736.db2.gz NAXHXJNYVOETGI-QMMMGPOBSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CC[C@@](C)(O)C1 ZINC000824833257 587289503 /nfs/dbraw/zinc/28/95/03/587289503.db2.gz MOYIVZZIXSECGH-GZMMTYOYSA-N -1 0 244.291 0.216 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@@H](C)C(C)(C)O ZINC000824848697 587290280 /nfs/dbraw/zinc/29/02/80/587290280.db2.gz QKYGFPZSTUJYKI-YUMQZZPRSA-N -1 0 246.307 0.508 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)N[C@H]1C[C@@H]1C ZINC000824850053 587290351 /nfs/dbraw/zinc/29/03/51/587290351.db2.gz VYXPJEHKXRHFTQ-RNJXMRFFSA-N -1 0 214.265 0.757 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1nncs1 ZINC000824880245 587291605 /nfs/dbraw/zinc/29/16/05/587291605.db2.gz FGELZZCQTZUKFX-YFKPBYRVSA-N -1 0 244.276 0.723 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCCCCO ZINC000824890501 587291763 /nfs/dbraw/zinc/29/17/63/587291763.db2.gz VQUCDZWXKKLPQD-QMMMGPOBSA-N -1 0 233.264 0.548 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCCF ZINC000824887795 587291923 /nfs/dbraw/zinc/29/19/23/587291923.db2.gz CYSDVRUNINDQNB-LURJTMIESA-N -1 0 207.201 0.745 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)O[C@@H]1CCOC1 ZINC000824888184 587292098 /nfs/dbraw/zinc/29/20/98/587292098.db2.gz IGJQJPYBNQZDOP-HTQZYQBOSA-N -1 0 231.248 0.564 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCCCO ZINC000824888933 587292167 /nfs/dbraw/zinc/29/21/67/587292167.db2.gz LUUSUKQJIVZKJL-ZETCQYMHSA-N -1 0 219.237 0.158 20 0 BCADRM C[C@H]1C[C@@H]1Nc1ccc(-c2nn[nH]n2)nn1 ZINC000824901545 587292296 /nfs/dbraw/zinc/29/22/96/587292296.db2.gz ZAFOKENXYNDLCQ-FSPLSTOPSA-N -1 0 217.236 0.477 20 0 BCADRM C[C@H]1C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000824899759 587292388 /nfs/dbraw/zinc/29/23/88/587292388.db2.gz NYGAZKIISCMRRP-YLWLKBPMSA-N -1 0 232.247 0.333 20 0 BCADRM C[C@H](CNC(=O)[O-])N(C)C(=O)[C@H]1CCSC1 ZINC000824958499 587295188 /nfs/dbraw/zinc/29/51/88/587295188.db2.gz ADMMZZRRILWJLB-SFYZADRCSA-N -1 0 246.332 0.854 20 0 BCADRM C[C@@H](CO)[C@@H](C)NC(=O)CC1CN(C(=O)[O-])C1 ZINC000824979844 587296270 /nfs/dbraw/zinc/29/62/70/587296270.db2.gz GNZYQWPHFXMKTL-JGVFFNPUSA-N -1 0 244.291 0.119 20 0 BCADRM C[C@@H](CO)NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000824981289 587296733 /nfs/dbraw/zinc/29/67/33/587296733.db2.gz WMEOJFNMQFJGGS-ZETCQYMHSA-N -1 0 230.264 0.064 20 0 BCADRM C[C@H](COC(=O)[C@]1(C)CCCO1)NC(=O)[O-] ZINC000824981602 587296756 /nfs/dbraw/zinc/29/67/56/587296756.db2.gz ZFEXOAJPAKREGR-XCBNKYQSSA-N -1 0 231.248 0.755 20 0 BCADRM C[C@@H](CO)NC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000824980874 587296974 /nfs/dbraw/zinc/29/69/74/587296974.db2.gz SAHGMZJQXBYJKM-JGVFFNPUSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@H](COC(=O)CCn1cccn1)NC(=O)[O-] ZINC000824986205 587297224 /nfs/dbraw/zinc/29/72/24/587297224.db2.gz FONQPRIIPNKART-MRVPVSSYSA-N -1 0 241.247 0.473 20 0 BCADRM C[C@H](COC(=O)[C@@H]1CCCOC1)NC(=O)[O-] ZINC000824987926 587297374 /nfs/dbraw/zinc/29/73/74/587297374.db2.gz PXDCKVAZLGWZGQ-HTQZYQBOSA-N -1 0 231.248 0.612 20 0 BCADRM C[C@H](COC(=O)COCC1CC1)NC(=O)[O-] ZINC000824986501 587297386 /nfs/dbraw/zinc/29/73/86/587297386.db2.gz HXCPAULYWAOLNZ-SSDOTTSWSA-N -1 0 231.248 0.612 20 0 BCADRM C[C@@H](COC(=O)Cc1cccnc1)NC(=O)[O-] ZINC000824995840 587297797 /nfs/dbraw/zinc/29/77/97/587297797.db2.gz QKFJFDBPSJBCPU-QMMMGPOBSA-N -1 0 238.243 0.823 20 0 BCADRM C[C@@H](COC(=O)c1cnn(C)c1)NC(=O)[O-] ZINC000825001716 587298139 /nfs/dbraw/zinc/29/81/39/587298139.db2.gz NGGPJYBTZYGEFW-LURJTMIESA-N -1 0 227.220 0.233 20 0 BCADRM COC[C@H](OC)C(=O)[N-]O[C@H]1CCCCO1 ZINC000825027490 587299459 /nfs/dbraw/zinc/29/94/59/587299459.db2.gz YSPMFKDZLGDSPP-IUCAKERBSA-N -1 0 233.264 0.222 20 0 BCADRM C[C@@H](Cc1nc(-c2cnccn2)no1)NC(=O)[O-] ZINC000825037198 587300139 /nfs/dbraw/zinc/30/01/39/587300139.db2.gz XYCFPFAFUDEBIU-LURJTMIESA-N -1 0 249.230 0.725 20 0 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/nfs/dbraw/zinc/32/30/51/587323051.db2.gz ZGVXRMZRSVYVAJ-DJLDLDEBSA-N -1 0 244.291 0.310 20 0 BCADRM C[C@@H](O)CN(C)C(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000825522702 587323084 /nfs/dbraw/zinc/32/30/84/587323084.db2.gz YCQCMIWJNFOVCE-LDYMZIIASA-N -1 0 244.291 0.216 20 0 BCADRM C[C@H](O)CNC(=O)CC1(NC(=O)[O-])CCC1 ZINC000825528690 587323507 /nfs/dbraw/zinc/32/35/07/587323507.db2.gz RKEVEKMFUKDSRD-ZETCQYMHSA-N -1 0 230.264 0.064 20 0 BCADRM C[C@H](O)CNC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000825528780 587323707 /nfs/dbraw/zinc/32/37/07/587323707.db2.gz SQWQFDFJIGNAFR-YIZRAAEISA-N -1 0 244.291 0.310 20 0 BCADRM CC(C)N(CCC(=O)NC[C@H](C)O)C(=O)[O-] ZINC000825528784 587323740 /nfs/dbraw/zinc/32/37/40/587323740.db2.gz SRNLLMPFXNORID-QMMMGPOBSA-N -1 0 232.280 0.262 20 0 BCADRM O=C([N-]O[C@@H]1CCCCO1)[C@H](O)C1CCC1 ZINC000825554175 587324767 /nfs/dbraw/zinc/32/47/67/587324767.db2.gz KXKPLIGNHWOPSC-NXEZZACHSA-N -1 0 229.276 0.722 20 0 BCADRM C[C@H](OC(=O)C1(NC(=O)[O-])CC1)[C@H]1CCOC1 ZINC000825544784 587324631 /nfs/dbraw/zinc/32/46/31/587324631.db2.gz OSQMFMGTYYGGIK-YUMQZZPRSA-N -1 0 243.259 0.755 20 0 BCADRM C[C@@H](OC(=O)CCNC(=O)[O-])[C@H]1CCOC1 ZINC000825586578 587325954 /nfs/dbraw/zinc/32/59/54/587325954.db2.gz RYYAURDILZBXTI-SFYZADRCSA-N -1 0 231.248 0.612 20 0 BCADRM C[C@H](OC(=O)CN(C)C(=O)[O-])[C@H]1CCOC1 ZINC000825587272 587326098 /nfs/dbraw/zinc/32/60/98/587326098.db2.gz XNBDRJJNRVSNAR-YUMQZZPRSA-N -1 0 231.248 0.564 20 0 BCADRM C[C@H](OC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C(N)=O ZINC000825598551 587326498 /nfs/dbraw/zinc/32/64/98/587326498.db2.gz NNQXEGKAZISIDV-NTSWFWBYSA-N -1 0 246.263 0.086 20 0 BCADRM CC1(C(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000825650295 587329175 /nfs/dbraw/zinc/32/91/75/587329175.db2.gz HOFHHPSAVPFRGG-UHFFFAOYSA-N -1 0 212.249 0.609 20 0 BCADRM C[C@]1(C(=O)NC2CC2)CCN(C(=O)[O-])C1 ZINC000825656502 587329656 /nfs/dbraw/zinc/32/96/56/587329656.db2.gz DXWYGARPNGYAHQ-JTQLQIEISA-N -1 0 212.249 0.655 20 0 BCADRM C[C@]1(C(=O)Nc2cc[nH]n2)CCN(C(=O)[O-])C1 ZINC000825677322 587331396 /nfs/dbraw/zinc/33/13/96/587331396.db2.gz FYBZTCUTWFZTCK-JTQLQIEISA-N -1 0 238.247 0.738 20 0 BCADRM CC1(C(=O)OCCNC(=O)[O-])CCC1 ZINC000825690149 587332529 /nfs/dbraw/zinc/33/25/29/587332529.db2.gz FLPRSLBRXPYPRX-UHFFFAOYSA-N -1 0 201.222 0.987 20 0 BCADRM C/C(=C/C(=O)N[C@]1(C(=O)[O-])CCOC1)C1CC1 ZINC000825716476 587333830 /nfs/dbraw/zinc/33/38/30/587333830.db2.gz HKTKFKMCWCZDJN-XYLWRLHESA-N -1 0 239.271 0.703 20 0 BCADRM C/C(=C/CN1C(=O)NC2(CCC2)C1=O)C(=O)[O-] ZINC000825735026 587334936 /nfs/dbraw/zinc/33/49/36/587334936.db2.gz MQGVIFLYOGNNSA-CLTKARDFSA-N -1 0 238.243 0.492 20 0 BCADRM CC1(C)CN(C(=O)[O-])CCN1S(C)(=O)=O ZINC000825734556 587335048 /nfs/dbraw/zinc/33/50/48/587335048.db2.gz PAGRQUGAVUXAGN-UHFFFAOYSA-N -1 0 236.293 0.020 20 0 BCADRM CC1(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000825744920 587336239 /nfs/dbraw/zinc/33/62/39/587336239.db2.gz RNASRHJWEVHZNK-MRVPVSSYSA-N -1 0 242.275 0.282 20 0 BCADRM C/C(=C\CN1CCc2cncnc2C1)C(=O)[O-] ZINC000825746165 587336249 /nfs/dbraw/zinc/33/62/49/587336249.db2.gz FUSMNPKYXURJBL-XNWCZRBMSA-N -1 0 233.271 0.866 20 0 BCADRM CC1(CNC(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000825743651 587336347 /nfs/dbraw/zinc/33/63/47/587336347.db2.gz DYTYHZJSUWQQFF-QMMMGPOBSA-N -1 0 242.275 0.282 20 0 BCADRM CC1(CNC(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000825744974 587336548 /nfs/dbraw/zinc/33/65/48/587336548.db2.gz SIXZWLDPNQQCDB-UHFFFAOYSA-N -1 0 212.249 0.703 20 0 BCADRM C/C(=C/COC(=O)C1=COCCO1)C(=O)[O-] ZINC000825752971 587337023 /nfs/dbraw/zinc/33/70/23/587337023.db2.gz PQUWXLSDTQODBF-UQCOIBPSSA-N -1 0 228.200 0.449 20 0 BCADRM C[C@@]1(CNC(=O)CNC(=O)[O-])CCCC[C@@H]1O ZINC000825749008 587337182 /nfs/dbraw/zinc/33/71/82/587337182.db2.gz IEMFQLSJAHFSDW-KWQFWETISA-N -1 0 244.291 0.311 20 0 BCADRM C/C(=C\COC(=O)[C@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC000825753797 587337477 /nfs/dbraw/zinc/33/74/77/587337477.db2.gz UXOUPJSYNMMMNP-DKCNVOGISA-N -1 0 241.243 0.039 20 0 BCADRM C/C(=C/COC(=O)[C@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC000825753800 587337578 /nfs/dbraw/zinc/33/75/78/587337578.db2.gz UXOUPJSYNMMMNP-PFPYCLJUSA-N -1 0 241.243 0.039 20 0 BCADRM C/C(=C/COC(=O)C[C@H]1CCOC1)C(=O)[O-] ZINC000825759030 587337726 /nfs/dbraw/zinc/33/77/26/587337726.db2.gz VGFJJPPUJUWAPG-GNJCPQTGSA-N -1 0 228.244 0.987 20 0 BCADRM CC(C)(CC(=O)N1CC[C@](C)(O)C1)NC(=O)[O-] ZINC000825761324 587337751 /nfs/dbraw/zinc/33/77/51/587337751.db2.gz ZASXNMPNKZZLMK-NSHDSACASA-N -1 0 244.291 0.406 20 0 BCADRM CC1(OC(=O)C2=COCC2)CN(C(=O)[O-])C1 ZINC000825761283 587337903 /nfs/dbraw/zinc/33/79/03/587337903.db2.gz YIODPCUAETVIJK-UHFFFAOYSA-N -1 0 227.216 0.586 20 0 BCADRM CC1(OC(=O)C2CCOCC2)CN(C(=O)[O-])C1 ZINC000825759737 587337983 /nfs/dbraw/zinc/33/79/83/587337983.db2.gz DQYKGNUKIBDNAW-UHFFFAOYSA-N -1 0 243.259 0.709 20 0 BCADRM CC(C)(CC(=O)N1CC[C@@](C)(O)C1)NC(=O)[O-] ZINC000825761322 587338042 /nfs/dbraw/zinc/33/80/42/587338042.db2.gz ZASXNMPNKZZLMK-LLVKDONJSA-N -1 0 244.291 0.406 20 0 BCADRM CC1(OC(=O)C[C@@H]2CCOC2)CN(C(=O)[O-])C1 ZINC000825760179 587338062 /nfs/dbraw/zinc/33/80/62/587338062.db2.gz KFJTYVFIHJOAOD-QMMMGPOBSA-N -1 0 243.259 0.709 20 0 BCADRM CC1CC(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000825788051 587339334 /nfs/dbraw/zinc/33/93/34/587339334.db2.gz FYOOPGFFBSQWDN-AMDVSUOASA-N -1 0 242.275 0.280 20 0 BCADRM CC1CC(NC(=O)CN(C)C(=O)[O-])C1 ZINC000825793767 587339890 /nfs/dbraw/zinc/33/98/90/587339890.db2.gz ADGZKIHBFFLQRF-UHFFFAOYSA-N -1 0 200.238 0.511 20 0 BCADRM CC(=O)CCN1CCO[C@H](CC(=O)[O-])C1 ZINC000825813139 587340109 /nfs/dbraw/zinc/34/01/09/587340109.db2.gz GNUPDNWZMVDVBN-SECBINFHSA-N -1 0 215.249 0.141 20 0 BCADRM CC(=O)CCC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000825814007 587340330 /nfs/dbraw/zinc/34/03/30/587340330.db2.gz VOZDAEJPLCXQPI-VIFPVBQESA-N -1 0 227.260 0.821 20 0 BCADRM CC(=O)[C@@H](C)SC[C@H](O)CC(=O)[O-] ZINC000825808954 587340462 /nfs/dbraw/zinc/34/04/62/587340462.db2.gz KJKUYBTUPNZSIY-RNFRBKRXSA-N -1 0 206.263 0.533 20 0 BCADRM CC(=O)[C@H](C)S[C@H](C)C(=O)NCC(=O)[O-] ZINC000825808710 587340474 /nfs/dbraw/zinc/34/04/74/587340474.db2.gz ACZBUNZBPHWSAU-NKWVEPMBSA-N -1 0 233.289 0.286 20 0 BCADRM CC(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC000825823920 587340805 /nfs/dbraw/zinc/34/08/05/587340805.db2.gz WRMHIAYORCAXIE-UHFFFAOYSA-N -1 0 200.219 0.824 20 0 BCADRM C[C@@H]1C[C@@H]1C(=O)OC1(C)CN(C(=O)[O-])C1 ZINC000825851472 587341001 /nfs/dbraw/zinc/34/10/01/587341001.db2.gz HVLIQRPEGCXERI-RQJHMYQMSA-N -1 0 213.233 0.938 20 0 BCADRM CC(=O)N1CCN(C/C=C(\C)C(=O)[O-])[C@@H](C)C1 ZINC000825840972 587341045 /nfs/dbraw/zinc/34/10/45/587341045.db2.gz NQBIQUSFSURNPP-LLGDCAAFSA-N -1 0 240.303 0.570 20 0 BCADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(N)=O ZINC000825846199 587341083 /nfs/dbraw/zinc/34/10/83/587341083.db2.gz TWAUQVMUVSNGEU-WDSKDSINSA-N -1 0 201.226 0.186 20 0 BCADRM C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000825850480 587341251 /nfs/dbraw/zinc/34/12/51/587341251.db2.gz COVAVNMAOKCPLY-HRDYMLBCSA-N -1 0 226.276 0.853 20 0 BCADRM C[C@@H]1C[C@H]1COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000825861172 587342130 /nfs/dbraw/zinc/34/21/30/587342130.db2.gz PTGVJCMNJAWKEZ-HRDYMLBCSA-N -1 0 243.259 0.564 20 0 BCADRM C[C@H](CNC(=O)[O-])N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000825864815 587342661 /nfs/dbraw/zinc/34/26/61/587342661.db2.gz AQKYYQSBDCINTA-IWSPIJDZSA-N -1 0 244.291 0.668 20 0 BCADRM C[C@@H]1CC[C@@H](CCC(=O)NCCNC(=O)[O-])O1 ZINC000825873946 587342893 /nfs/dbraw/zinc/34/28/93/587342893.db2.gz XYFGSLXISOVXBX-BDAKNGLRSA-N -1 0 244.291 0.718 20 0 BCADRM CN(CC(F)F)c1ccc(-c2nn[nH]n2)nn1 ZINC000825901131 587344687 /nfs/dbraw/zinc/34/46/87/587344687.db2.gz BBVJULKRTKALLC-UHFFFAOYSA-N -1 0 241.205 0.358 20 0 BCADRM CN(CC1CC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825902414 587344984 /nfs/dbraw/zinc/34/49/84/587344984.db2.gz UCVOAWIXEKMUDL-UHFFFAOYSA-N -1 0 246.274 0.677 20 0 BCADRM C[C@@H]1CCCN1C(=O)NC1CN(C(=O)[O-])C1 ZINC000825931733 587346054 /nfs/dbraw/zinc/34/60/54/587346054.db2.gz MIEICJJWBBDRQI-SSDOTTSWSA-N -1 0 227.264 0.543 20 0 BCADRM C[C@@H]1CCN(C(=O)CCNC(=O)[O-])[C@@H]1C ZINC000825937503 587346334 /nfs/dbraw/zinc/34/63/34/587346334.db2.gz JHLGJXVENGUTKS-HTQZYQBOSA-N -1 0 214.265 0.901 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000825944211 587346738 /nfs/dbraw/zinc/34/67/38/587346738.db2.gz LKJBQDVHYFAOTF-PRJMDXOYSA-N -1 0 214.265 0.899 20 0 BCADRM C[C@@H]1CN(C(=O)C2(NC(=O)[O-])CC2)C[C@H](C)O1 ZINC000825970945 587347504 /nfs/dbraw/zinc/34/75/04/587347504.db2.gz XZYCXQXYNKGXDV-OCAPTIKFSA-N -1 0 242.275 0.422 20 0 BCADRM C[C@H]1CN(C(=O)CNC(=O)[O-])C(C)(C)C1 ZINC000825982771 587347764 /nfs/dbraw/zinc/34/77/64/587347764.db2.gz CTVXHPJZWYHQAG-SSDOTTSWSA-N -1 0 214.265 0.901 20 0 BCADRM C[C@H]1CN(C(=O)NC2CC2)CCN1C(=O)[O-] ZINC000825988845 587347937 /nfs/dbraw/zinc/34/79/37/587347937.db2.gz PFHPBQLPZDGFLO-ZETCQYMHSA-N -1 0 227.264 0.543 20 0 BCADRM C[C@@H](C(=O)NC1CC1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000825999669 587348068 /nfs/dbraw/zinc/34/80/68/587348068.db2.gz GVQONRCBWAFCJE-CPCISQLKSA-N -1 0 244.266 0.152 20 0 BCADRM C[C@@H](C(=O)NCC(=O)[O-])N(C)Cc1ccoc1 ZINC000826000751 587348162 /nfs/dbraw/zinc/34/81/62/587348162.db2.gz QWHIBYUCIDFBED-QMMMGPOBSA-N -1 0 240.259 0.301 20 0 BCADRM C[C@H]1CN(C(=O)n2ccnc2)CCN1C(=O)[O-] ZINC000826042432 587348946 /nfs/dbraw/zinc/34/89/46/587348946.db2.gz OSCJQJKGXSFKNI-QMMMGPOBSA-N -1 0 238.247 0.535 20 0 BCADRM C[C@@H]1CN(Cc2cncn2C)CCN1C(=O)[O-] ZINC000826066377 587350098 /nfs/dbraw/zinc/35/00/98/587350098.db2.gz DXCDYDWEFODPPQ-SECBINFHSA-N -1 0 238.291 0.604 20 0 BCADRM C[C@@H]1COCCCN1C(=O)CN(C)C(=O)[O-] ZINC000826087110 587350674 /nfs/dbraw/zinc/35/06/74/587350674.db2.gz HXFRYWAATSQWOO-MRVPVSSYSA-N -1 0 230.264 0.234 20 0 BCADRM C[C@@H]1CSCCN1C(=O)C1(NC(=O)[O-])CC1 ZINC000826093770 587350741 /nfs/dbraw/zinc/35/07/41/587350741.db2.gz LJZARIULYBLPGA-SSDOTTSWSA-N -1 0 244.316 0.751 20 0 BCADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(N)=O ZINC000826125277 587350788 /nfs/dbraw/zinc/35/07/88/587350788.db2.gz HBCINNIXPMNQOE-WDSKDSINSA-N -1 0 231.252 0.158 20 0 BCADRM C[C@@H]1[C@H](C)OCCN1C(=O)C1(NC(=O)[O-])CC1 ZINC000826126699 587350835 /nfs/dbraw/zinc/35/08/35/587350835.db2.gz PXFBIJKDXVWNCZ-SFYZADRCSA-N -1 0 242.275 0.422 20 0 BCADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(N)=O ZINC000826125272 587350983 /nfs/dbraw/zinc/35/09/83/587350983.db2.gz HBCINNIXPMNQOE-NTSWFWBYSA-N -1 0 231.252 0.158 20 0 BCADRM C[C@H]1OCCN(CCNC(=O)[O-])[C@H]1C ZINC000826132569 587351309 /nfs/dbraw/zinc/35/13/09/587351309.db2.gz GZDXFYRADWCUDX-JGVFFNPUSA-N -1 0 202.254 0.363 20 0 BCADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(C=O)[nH]1 ZINC000826533793 587354221 /nfs/dbraw/zinc/35/42/21/587354221.db2.gz REJVOSGAYTYBNR-UHFFFAOYSA-N -1 0 238.243 0.810 20 0 BCADRM C/C=C(/C)C(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000826556159 587354756 /nfs/dbraw/zinc/35/47/56/587354756.db2.gz WWXMAODIQYSBBJ-WPKZPIIRSA-N -1 0 241.287 0.949 20 0 BCADRM CC[C@@H](COC)NC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000826586594 587355732 /nfs/dbraw/zinc/35/57/32/587355732.db2.gz DGGASRFXWPVMHQ-BDAKNGLRSA-N -1 0 246.307 0.774 20 0 BCADRM CC[C@@H](COC)NC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000826586596 587355841 /nfs/dbraw/zinc/35/58/41/587355841.db2.gz DGGASRFXWPVMHQ-IUCAKERBSA-N -1 0 246.307 0.774 20 0 BCADRM CC[C@@H](NC(=O)CN(CC)C(=O)[O-])C(=O)OC ZINC000826598917 587356222 /nfs/dbraw/zinc/35/62/22/587356222.db2.gz APCFFXJZKAMGED-SSDOTTSWSA-N -1 0 246.263 0.054 20 0 BCADRM CC[C@@H](OC)C(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000826630966 587356586 /nfs/dbraw/zinc/35/65/86/587356586.db2.gz AZFFXCXMACCWBQ-DTWKUNHWSA-N -1 0 244.291 0.622 20 0 BCADRM CC[C@H](O)CCNC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000826625305 587356846 /nfs/dbraw/zinc/35/68/46/587356846.db2.gz CWVDUVTVNRIYNZ-DTWKUNHWSA-N -1 0 246.307 0.556 20 0 BCADRM CC[C@@H](O)CCNC(=O)CCCN(C)C(=O)[O-] ZINC000826625417 587356901 /nfs/dbraw/zinc/35/69/01/587356901.db2.gz FOCTYDUXHXYPIN-SECBINFHSA-N -1 0 246.307 0.654 20 0 BCADRM CC[C@@H](O)CCNC(=O)[C@H](CC)NC(=O)[O-] ZINC000826625605 587356914 /nfs/dbraw/zinc/35/69/14/587356914.db2.gz GYKKRMPWTDDEBG-SFYZADRCSA-N -1 0 232.280 0.310 20 0 BCADRM CC[C@H](O)CCCNC(=O)CN(CC)C(=O)[O-] ZINC000826625293 587356934 /nfs/dbraw/zinc/35/69/34/587356934.db2.gz CPVHFLXOFXFOLT-VIFPVBQESA-N -1 0 246.307 0.654 20 0 BCADRM CC[C@H](O)CCCNC(=O)[C@H](C)NC(=O)[O-] ZINC000826625278 587356953 /nfs/dbraw/zinc/35/69/53/587356953.db2.gz CKSUXVIQXOAPGM-YUMQZZPRSA-N -1 0 232.280 0.310 20 0 BCADRM CC[C@H](O)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000826626127 587356960 /nfs/dbraw/zinc/35/69/60/587356960.db2.gz RFFPMUKIZVYYST-GUBZILKMSA-N -1 0 246.307 0.114 20 0 BCADRM CC[C@H](O)CCNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000826626079 587356980 /nfs/dbraw/zinc/35/69/80/587356980.db2.gz PZNVXNOLVWTHRF-BDAKNGLRSA-N -1 0 246.307 0.510 20 0 BCADRM CC[C@@H](O)CCNC(=O)CC(C)(C)NC(=O)[O-] ZINC000826625861 587356988 /nfs/dbraw/zinc/35/69/88/587356988.db2.gz LHSYEORHDNTRKM-MRVPVSSYSA-N -1 0 246.307 0.700 20 0 BCADRM CC[C@@H](OC)C(=O)NCC(C)(C)NC(=O)[O-] ZINC000826633677 587357212 /nfs/dbraw/zinc/35/72/12/587357212.db2.gz XGZVTGKWHVDADQ-SSDOTTSWSA-N -1 0 232.280 0.574 20 0 BCADRM CC[C@H](OC)C(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826633632 587357254 /nfs/dbraw/zinc/35/72/54/587357254.db2.gz WWSIIYGTSURIKV-BDAKNGLRSA-N -1 0 244.291 0.622 20 0 BCADRM CCC1(C(=O)N[C@H]2CCN(C(=O)[O-])C2)COC1 ZINC000826640129 587357370 /nfs/dbraw/zinc/35/73/70/587357370.db2.gz SEUYPYSHMLSEDF-QMMMGPOBSA-N -1 0 242.275 0.282 20 0 BCADRM CCC1(C(=O)NCCCNC(=O)[O-])COC1 ZINC000826638491 587357413 /nfs/dbraw/zinc/35/74/13/587357413.db2.gz DVMNJACCRYSFAT-UHFFFAOYSA-N -1 0 230.264 0.187 20 0 BCADRM CC(C)(O)CNC(=O)c1cccc(C(=O)[O-])n1 ZINC000826636785 587357460 /nfs/dbraw/zinc/35/74/60/587357460.db2.gz LBKPHWKPSGGAMK-UHFFFAOYSA-N -1 0 238.243 0.281 20 0 BCADRM CCC1(C(=O)O[C@H]2CCN(C(=O)[O-])C2)COC1 ZINC000826644776 587357671 /nfs/dbraw/zinc/35/76/71/587357671.db2.gz LPWRPSITTORQFS-QMMMGPOBSA-N -1 0 243.259 0.709 20 0 BCADRM CCC1(COC(=O)CCNC(=O)[O-])COC1 ZINC000826653483 587357847 /nfs/dbraw/zinc/35/78/47/587357847.db2.gz ASPVSRHCYGZMRN-UHFFFAOYSA-N -1 0 231.248 0.614 20 0 BCADRM CC[C@@H]1CC[C@H](C(=O)NCCNC(=O)[O-])O1 ZINC000826658737 587358124 /nfs/dbraw/zinc/35/81/24/587358124.db2.gz AFGJTXVWEOYYHW-HTQZYQBOSA-N -1 0 230.264 0.328 20 0 BCADRM CC[C@@H]1CO[C@@H](C)CN1C(=O)CNC(=O)[O-] ZINC000826698289 587359206 /nfs/dbraw/zinc/35/92/06/587359206.db2.gz DNDDTYNQEPESIX-JGVFFNPUSA-N -1 0 230.264 0.280 20 0 BCADRM CC[C@H]1CO[C@H](C)CN1C(=O)[C@H](C)NC(=O)[O-] ZINC000826701916 587359388 /nfs/dbraw/zinc/35/93/88/587359388.db2.gz ZFUHVPZWMRBPCP-VGMNWLOBSA-N -1 0 244.291 0.668 20 0 BCADRM CC[C@@H]1COCCN1CCNC(=O)[O-] ZINC000826701878 587359612 /nfs/dbraw/zinc/35/96/12/587359612.db2.gz YRNXMEVIHVLTJJ-MRVPVSSYSA-N -1 0 202.254 0.365 20 0 BCADRM CC(C)[C@H](OC(=O)CCc1nnc[nH]1)C(=O)[O-] ZINC000826723496 587359931 /nfs/dbraw/zinc/35/99/31/587359931.db2.gz UYHUXKZSALSACP-VIFPVBQESA-N -1 0 241.247 0.390 20 0 BCADRM CC(C)[C@H](OC(=O)[C@H]1CCNC(=O)C1)C(=O)[O-] ZINC000826717789 587360120 /nfs/dbraw/zinc/36/01/20/587360120.db2.gz VNXQSDCWQHSVPL-CBAPKCEASA-N -1 0 243.259 0.165 20 0 BCADRM CCC[C@@](C)(O)C(=O)NCC(C)(C)NC(=O)[O-] ZINC000826726958 587360322 /nfs/dbraw/zinc/36/03/22/587360322.db2.gz BGVYMJQFQMUMIF-LLVKDONJSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@](C)(O)CNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000826729745 587360347 /nfs/dbraw/zinc/36/03/47/587360347.db2.gz UMMMXFGJPDXJRV-KCJUWKMLSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@H](C)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826734777 587360594 /nfs/dbraw/zinc/36/05/94/587360594.db2.gz KXLAXGITDKZFLS-IUCAKERBSA-N -1 0 244.291 0.670 20 0 BCADRM CCC[C@@H](C)NC(=O)NC1CN(C(=O)[O-])C1 ZINC000826736434 587360830 /nfs/dbraw/zinc/36/08/30/587360830.db2.gz UYVLZKSHDJTENH-SSDOTTSWSA-N -1 0 229.280 0.836 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CC[C@@](C)(O)C1 ZINC000826743613 587360901 /nfs/dbraw/zinc/36/09/01/587360901.db2.gz KRSRECBDLRQCJQ-LDYMZIIASA-N -1 0 244.291 0.406 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NCC[C@@H](O)CC ZINC000826751643 587361131 /nfs/dbraw/zinc/36/11/31/587361131.db2.gz PDUUNLORKJJUKH-DTWKUNHWSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NC[C@](C)(O)CC ZINC000826752414 587361147 /nfs/dbraw/zinc/36/11/47/587361147.db2.gz UQSHXIVAUIDJSV-GZMMTYOYSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@@H](C)CCCO ZINC000826751026 587361162 /nfs/dbraw/zinc/36/11/62/587361162.db2.gz LQTZYGWWCPZFCA-IUCAKERBSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](O)C1 ZINC000826750072 587361194 /nfs/dbraw/zinc/36/11/94/587361194.db2.gz GENVSUVBIULQNY-SFYZADRCSA-N -1 0 230.264 0.016 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NCc1ccon1 ZINC000826756933 587361206 /nfs/dbraw/zinc/36/12/06/587361206.db2.gz AYBWHGBLXPLPOO-QMMMGPOBSA-N -1 0 241.247 0.727 20 0 BCADRM CCC[C@@H](O)CNC(=O)C(C)(C)CNC(=O)[O-] ZINC000826763394 587361429 /nfs/dbraw/zinc/36/14/29/587361429.db2.gz BWNMLAIUAFYTHE-MRVPVSSYSA-N -1 0 246.307 0.557 20 0 BCADRM CCC[C@H](O)CNC(=O)CCCN(C)C(=O)[O-] ZINC000826764470 587361692 /nfs/dbraw/zinc/36/16/92/587361692.db2.gz ITWARXBHGFHWDV-VIFPVBQESA-N -1 0 246.307 0.654 20 0 BCADRM CCCC[C@H](CNC(=O)[O-])NC(=O)[C@@H](C)OC ZINC000826781993 587362108 /nfs/dbraw/zinc/36/21/08/587362108.db2.gz TWLKZVZOCDYOIA-RKDXNWHRSA-N -1 0 246.307 0.964 20 0 BCADRM CCC[C@@H]1C[C@@H]1NC(=O)NC1CN(C(=O)[O-])C1 ZINC000826776254 587362181 /nfs/dbraw/zinc/36/21/81/587362181.db2.gz XZHLGARHEHSQNO-APPZFPTMSA-N -1 0 241.291 0.836 20 0 BCADRM CCCC[C@H](CNC(=O)[O-])NC(=O)NCCO ZINC000826795268 587362554 /nfs/dbraw/zinc/36/25/54/587362554.db2.gz NZIKGPJJAXITLO-MRVPVSSYSA-N -1 0 247.295 0.104 20 0 BCADRM CCCC[C@H](CNC(=O)[O-])NC(=S)NC ZINC000826805312 587362768 /nfs/dbraw/zinc/36/27/68/587362768.db2.gz DWRJGTSPXRFLLG-SSDOTTSWSA-N -1 0 233.337 0.907 20 0 BCADRM CCCC[C@@H](CNC(=O)[O-])NC(=S)NC ZINC000826805313 587362901 /nfs/dbraw/zinc/36/29/01/587362901.db2.gz DWRJGTSPXRFLLG-ZETCQYMHSA-N -1 0 233.337 0.907 20 0 BCADRM CCCC[C@@H](CNC(=O)[O-])NC(N)=O ZINC000826806525 587363014 /nfs/dbraw/zinc/36/30/14/587363014.db2.gz OMFHGDAILBZMNH-LURJTMIESA-N -1 0 203.242 0.481 20 0 BCADRM CC(C)C[C@@H](O)CNC(=O)[C@@H](C)CC(=O)[O-] ZINC000826806061 587363074 /nfs/dbraw/zinc/36/30/74/587363074.db2.gz CVZGYNNOPAPYRU-DTWKUNHWSA-N -1 0 231.292 0.620 20 0 BCADRM CCCCNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000826837570 587363886 /nfs/dbraw/zinc/36/38/86/587363886.db2.gz ZEKUSASTEMNGDM-JTQLQIEISA-N -1 0 232.255 0.995 20 0 BCADRM CCCCOC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826841918 587364024 /nfs/dbraw/zinc/36/40/24/587364024.db2.gz FRMZSHQTPUCQQY-QMMMGPOBSA-N -1 0 231.248 0.709 20 0 BCADRM CCCN(CC)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000826903568 587364809 /nfs/dbraw/zinc/36/48/09/587364809.db2.gz KUIXSEPTGLGHED-DTWKUNHWSA-N -1 0 244.291 0.358 20 0 BCADRM CCCN(CCNC(=O)[O-])CC(=O)N(C)C ZINC000826911642 587365360 /nfs/dbraw/zinc/36/53/60/587365360.db2.gz DJKCACVIFAEFLY-UHFFFAOYSA-N -1 0 231.296 0.054 20 0 BCADRM CCCNC(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000826926112 587365561 /nfs/dbraw/zinc/36/55/61/587365561.db2.gz SGHAMPHLQGLXKN-VIFPVBQESA-N -1 0 243.307 0.197 20 0 BCADRM CCCNC(=S)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000826931229 587365800 /nfs/dbraw/zinc/36/58/00/587365800.db2.gz MFTAWPBFXCWFDA-QMMMGPOBSA-N -1 0 245.348 0.955 20 0 BCADRM CCCOC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)[O-] ZINC000826931647 587365858 /nfs/dbraw/zinc/36/58/58/587365858.db2.gz SGRIKQWOOKBBIO-NKWVEPMBSA-N -1 0 247.247 0.527 20 0 BCADRM CCN(C(=O)C1CC1)C1CN(C(=O)[O-])C1 ZINC000826970178 587366748 /nfs/dbraw/zinc/36/67/48/587366748.db2.gz ODAKWEDRLSHUPX-UHFFFAOYSA-N -1 0 212.249 0.607 20 0 BCADRM CC(C)NC(=S)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000826980196 587367112 /nfs/dbraw/zinc/36/71/12/587367112.db2.gz FMJPSROHBSJKKK-JGVFFNPUSA-N -1 0 230.333 0.922 20 0 BCADRM CCN(CC(=O)N(C)C[C@H](O)C1CC1)C(=O)[O-] ZINC000826997360 587367440 /nfs/dbraw/zinc/36/74/40/587367440.db2.gz YRGSCXJGYNVJLR-VIFPVBQESA-N -1 0 244.291 0.216 20 0 BCADRM CCN(CC(=O)N1CCC[C@H]1COC)C(=O)[O-] ZINC000826996798 587367478 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20 0 BCADRM CC[C@@H](C(=O)OC)N1CCO[C@H](CC(=O)[O-])C1 ZINC000828603442 587452916 /nfs/dbraw/zinc/45/29/16/587452916.db2.gz IYWHSZIQMWESGG-BDAKNGLRSA-N -1 0 245.275 0.114 20 0 BCADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CCC(=O)N1 ZINC000828617770 587454134 /nfs/dbraw/zinc/45/41/34/587454134.db2.gz KQEAFMPPYOBZSB-HQJQHLMTSA-N -1 0 242.275 0.025 20 0 BCADRM CCC(C)(C)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000828612581 587454171 /nfs/dbraw/zinc/45/41/71/587454171.db2.gz ZGIUURHBQGIRGS-ZETCQYMHSA-N -1 0 237.321 0.815 20 0 BCADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cn1ccnc1 ZINC000828634749 587455224 /nfs/dbraw/zinc/45/52/24/587455224.db2.gz ZJHUIHIORQKWMP-LLVKDONJSA-N -1 0 239.275 0.643 20 0 BCADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccn(C)n1 ZINC000828645870 587455776 /nfs/dbraw/zinc/45/57/76/587455776.db2.gz ZQKLFHUKHJJNDA-LLVKDONJSA-N -1 0 239.275 0.793 20 0 BCADRM COC(=O)CN(C)CC[C@H](NC(=O)[O-])C(C)C ZINC000828684031 587456272 /nfs/dbraw/zinc/45/62/72/587456272.db2.gz QCHKYWMTLBKAAN-VIFPVBQESA-N -1 0 246.307 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C/C=C/C[C@H](CO)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000911394358 639632413 /nfs/dbraw/zinc/63/24/13/639632413.db2.gz VUCSGHNIFVOXLG-DXMIZCBPSA-N -1 0 229.276 0.541 20 0 BCADRM C/C=C/C[C@H](CO)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000911394116 639632816 /nfs/dbraw/zinc/63/28/16/639632816.db2.gz NZSVTWWLVZMTJW-LDGXEWFHSA-N -1 0 227.260 0.150 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@]1(CC)CO ZINC000911417659 639633076 /nfs/dbraw/zinc/63/30/76/639633076.db2.gz RTZJHECHUBTDDY-BXKDBHETSA-N -1 0 243.303 0.861 20 0 BCADRM C[C@H](O)CCCNC(=O)C(C)(C)C(=O)[O-] ZINC000911394068 639633137 /nfs/dbraw/zinc/63/31/37/639633137.db2.gz MGDJOLXMYMKQTP-ZETCQYMHSA-N -1 0 217.265 0.374 20 0 BCADRM C/C=C\C[C@H](CO)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000911394115 639633175 /nfs/dbraw/zinc/63/31/75/639633175.db2.gz NZSVTWWLVZMTJW-BEJMYUCXSA-N -1 0 227.260 0.150 20 0 BCADRM C/C=C\C[C@@H](CO)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000911394127 639633221 /nfs/dbraw/zinc/63/32/21/639633221.db2.gz OMTXBYWATWVEHS-ONLZYIPISA-N -1 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639637399 /nfs/dbraw/zinc/63/73/99/639637399.db2.gz SZSAXPUHYIJEKP-UHFFFAOYSA-N -1 0 238.243 0.767 20 0 BCADRM CC[C@H](NC(=O)[C@H](C)CC(=O)[O-])[C@@H](C)O ZINC000911401899 639638404 /nfs/dbraw/zinc/63/84/04/639638404.db2.gz WGDYWGSXRDVSGM-PRJMDXOYSA-N -1 0 217.265 0.373 20 0 BCADRM CC(C)[C@H](O)CNC(=O)c1cc(C(=O)[O-])co1 ZINC000911405214 639639002 /nfs/dbraw/zinc/63/90/02/639639002.db2.gz VJOBIEWLNDCEOX-MRVPVSSYSA-N -1 0 241.243 0.725 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NCC(C)(C)OCCO ZINC000911404680 639639175 /nfs/dbraw/zinc/63/91/75/639639175.db2.gz CQXACLDXNADZKI-MRVPVSSYSA-N -1 0 247.291 0.001 20 0 BCADRM CC[C@@H](O)CNC(=O)c1oc(C(=O)[O-])cc1C ZINC000911401839 639639452 /nfs/dbraw/zinc/63/94/52/639639452.db2.gz UEEJHINHZBKHKD-SSDOTTSWSA-N -1 0 241.243 0.787 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)NCC(C)(C)CCO ZINC000911405504 639639503 /nfs/dbraw/zinc/63/95/03/639639503.db2.gz CJNAOGLVSLHKPP-MRVPVSSYSA-N -1 0 231.292 0.622 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000911402198 639639862 /nfs/dbraw/zinc/63/98/62/639639862.db2.gz TYOVVQCDIRXLDP-DJLDLDEBSA-N -1 0 227.260 0.150 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NCC(C)(C)CCO ZINC000911405535 639640195 /nfs/dbraw/zinc/64/01/95/639640195.db2.gz DLXIRAVYHIARBD-MRVPVSSYSA-N -1 0 231.292 0.622 20 0 BCADRM CC(C)(CCC(=O)[O-])C(=O)N1CC[C@@](C)(O)C1 ZINC000911406179 639640618 /nfs/dbraw/zinc/64/06/18/639640618.db2.gz KGNYCZITLUVDLR-GFCCVEGCSA-N -1 0 243.303 0.861 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@]1(C)CO ZINC000911406963 639640797 /nfs/dbraw/zinc/64/07/97/639640797.db2.gz HFLUKFTYMSIMBR-LDYMZIIASA-N -1 0 229.276 0.471 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N(C)CC[C@H](C)O ZINC000911406744 639641185 /nfs/dbraw/zinc/64/11/85/639641185.db2.gz DLQDFDBNTOQLMA-YUMQZZPRSA-N -1 0 217.265 0.327 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)N(C)[C@@H](C)C(C)(C)O ZINC000911406204 639641221 /nfs/dbraw/zinc/64/12/21/639641221.db2.gz NCSNIUKYPPKKCF-JGVFFNPUSA-N -1 0 231.292 0.715 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@]1(C)CO ZINC000911406962 639641671 /nfs/dbraw/zinc/64/16/71/639641671.db2.gz HFLUKFTYMSIMBR-KWQFWETISA-N -1 0 229.276 0.471 20 0 BCADRM CC(C)[C@H](CO)CNC(=O)[C@@H](C)CC(=O)[O-] ZINC000911405710 639641685 /nfs/dbraw/zinc/64/16/85/639641685.db2.gz JJMMCYRWJBFPPH-IUCAKERBSA-N -1 0 231.292 0.478 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)N1CC[C@](C)(O)C1 ZINC000911406008 639641721 /nfs/dbraw/zinc/64/17/21/639641721.db2.gz IBUYPTHBEMXHAH-XCBNKYQSSA-N -1 0 215.249 0.081 20 0 BCADRM CCN(C(=O)CCSCC(=O)[O-])[C@@H](C)CO ZINC000911407049 639641956 /nfs/dbraw/zinc/64/19/56/639641956.db2.gz FMOJKWFEZLNJBO-QMMMGPOBSA-N -1 0 249.332 0.424 20 0 BCADRM CC(C)[C@@H](CO)CNC(=O)[C@H](C(=O)[O-])C(C)C ZINC000911405953 639642300 /nfs/dbraw/zinc/64/23/00/639642300.db2.gz NTWKXSOHGKUMNM-NXEZZACHSA-N -1 0 245.319 0.724 20 0 BCADRM CCc1nc(CNC(=O)C2(C(=O)[O-])CC2)co1 ZINC000911427419 639645918 /nfs/dbraw/zinc/64/59/18/639645918.db2.gz DONDWENBTKQEFV-UHFFFAOYSA-N -1 0 238.243 0.718 20 0 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245.275 0.017 20 0 BCADRM CC[C@@H](C)N(CC)C(=O)[C@H](OC)C(=O)[O-] ZINC000713282981 712458153 /nfs/dbraw/zinc/45/81/53/712458153.db2.gz XMQHDZLRBWBUCX-SFYZADRCSA-N -1 0 217.265 0.733 20 0 BCADRM C[C@@H]1C[C@H]1C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000713516284 712464263 /nfs/dbraw/zinc/46/42/63/712464263.db2.gz PROZIPUVQNQDQW-QYNIQEEDSA-N -1 0 233.214 0.963 20 0 BCADRM O=C([O-])[C@@H]1CC(F)(F)CN1C[C@@H]1CCCO1 ZINC000713518189 712464565 /nfs/dbraw/zinc/46/45/65/712464565.db2.gz ACKGESWVFGOYFR-YUMQZZPRSA-N -1 0 235.230 0.960 20 0 BCADRM O=S(=O)(c1ncc[n-]1)N1C[C@@H](F)[C@@H](F)C1 ZINC000714558950 712494098 /nfs/dbraw/zinc/49/40/98/712494098.db2.gz AYBAYJGOPRJOOG-OLQVQODUSA-N -1 0 237.231 0.090 20 0 BCADRM CO[C@H]1C[C@H](CNC(=O)CCCC(=O)[O-])C1 ZINC000714684151 712495603 /nfs/dbraw/zinc/49/56/03/712495603.db2.gz XZMYSAJLRUJCDE-KYZUINATSA-N -1 0 229.276 0.783 20 0 BCADRM O=C([O-])[C@@H]1[C@H](CNC(=O)c2ccoc2)C1(F)F ZINC000715264377 712514929 /nfs/dbraw/zinc/51/49/29/712514929.db2.gz 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227.260 0.225 20 0 BCADRM CC(C)(CNC(=O)[C@H]1COCCO1)CC(=O)[O-] ZINC000720910510 712877296 /nfs/dbraw/zinc/87/72/96/712877296.db2.gz KRGXASQTRSSXOZ-MRVPVSSYSA-N -1 0 245.275 0.019 20 0 BCADRM C[C@@H]1[C@H](C)OCCN1C(=O)CCCC(=O)[O-] ZINC000380362132 712897656 /nfs/dbraw/zinc/89/76/56/712897656.db2.gz CAZLHZYRKSPRRM-BDAKNGLRSA-N -1 0 229.276 0.877 20 0 BCADRM Cc1nccc(N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])n1 ZINC000721207412 712898484 /nfs/dbraw/zinc/89/84/84/712898484.db2.gz SRDAAACORDKYQY-NGZCFLSTSA-N -1 0 233.271 0.942 20 0 BCADRM Cc1nc(=NC[C@H](O)c2cccnc2)s[n-]1 ZINC000381395502 710632067 /nfs/dbraw/zinc/63/20/67/710632067.db2.gz PMWPOZCTRUZIIL-VIFPVBQESA-N -1 0 236.300 0.809 20 0 BCADRM C[C@@H](CC(=O)NC[C@@](C)(O)C(=O)[O-])C1CC1 ZINC000381421208 710635241 /nfs/dbraw/zinc/63/52/41/710635241.db2.gz VYHPWNSIOQUMSA-WRWORJQWSA-N -1 0 229.276 0.374 20 0 BCADRM C[C@@H]1SCC[C@@H]1Nc1ccc(C(=O)[O-])nn1 ZINC000381443346 710637349 /nfs/dbraw/zinc/63/73/49/710637349.db2.gz AYXGLAPOMQYHLO-BQBZGAKWSA-N 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O=C([O-])c1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)no1 ZINC000397690693 711389655 /nfs/dbraw/zinc/38/96/55/711389655.db2.gz AJLYPXWRMUTHLN-KVSKUHBBSA-N -1 0 236.227 0.901 20 0 BCADRM C[C@@H](O)C[C@@H](C)CNc1cc(C(=O)[O-])ncn1 ZINC000397818761 711392559 /nfs/dbraw/zinc/39/25/59/711392559.db2.gz GKUNWGOQIFNLHD-HTQZYQBOSA-N -1 0 239.275 0.416 20 0 BCADRM C[C@H]1OCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])[C@@H]1C ZINC000133926144 711475034 /nfs/dbraw/zinc/47/50/34/711475034.db2.gz PMLKKPYNKUWOOF-BGZDPUMWSA-N -1 0 227.260 0.343 20 0 BCADRM Cc1ccc(C(=O)[N-]NC(=S)NC2CC2)o1 ZINC000022080650 711476943 /nfs/dbraw/zinc/47/69/43/711476943.db2.gz NKQDZDVMZBBQLK-UHFFFAOYSA-N -1 0 239.300 0.859 20 0 BCADRM O=C(CC[C@H]1CCCO1)NC[C@H]1C[C@H]1C(=O)[O-] ZINC000715370099 711482121 /nfs/dbraw/zinc/48/21/21/711482121.db2.gz QWKVVUYIKOFSNC-OPRDCNLKSA-N -1 0 241.287 0.783 20 0 BCADRM CC[C@H](CNC(=O)c1cnns1)C(=O)[O-] ZINC000083601986 711485728 /nfs/dbraw/zinc/48/57/28/711485728.db2.gz IQFKEXMLPWLMLQ-RXMQYKEDSA-N -1 0 229.261 0.379 20 0 BCADRM C[C@@H]1CCCN(Cc2cnn(C)n2)[C@@H]1C(=O)[O-] ZINC000383490038 711491367 /nfs/dbraw/zinc/49/13/67/711491367.db2.gz CFHKEXVEMQTOKS-SCZZXKLOSA-N -1 0 238.291 0.500 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000723783580 711537362 /nfs/dbraw/zinc/53/73/62/711537362.db2.gz SUSSEXDKMHICEF-OPRDCNLKSA-N -1 0 243.303 0.981 20 0 BCADRM C[C@@H](N(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(C)(C)O ZINC000382811962 711537671 /nfs/dbraw/zinc/53/76/71/711537671.db2.gz QHOHREQWILTGDK-PRJMDXOYSA-N -1 0 229.276 0.325 20 0 BCADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000386438842 711554557 /nfs/dbraw/zinc/55/45/57/711554557.db2.gz JXYZVZNODMAFIN-JOYOIKCWSA-N -1 0 239.271 0.391 20 0 BCADRM CO[C@@H]1CC[C@@H]1N(C)c1nc(C(=O)[O-])co1 ZINC000724176685 711566922 /nfs/dbraw/zinc/56/69/22/711566922.db2.gz RHCMLTVOLTUSTC-JGVFFNPUSA-N -1 0 226.232 0.986 20 0 BCADRM CO[C@@H]1CC[C@@H]1N(C)c1ncncc1C(=O)[O-] ZINC000724185319 711567692 /nfs/dbraw/zinc/56/76/92/711567692.db2.gz WGWMADVQTDBMGM-DTWKUNHWSA-N -1 0 237.259 0.788 20 0 BCADRM C[C@@H](NC(=O)[C@H]1C[C@@H]1[C@H]1C[C@H]1C)C(=O)[O-] ZINC000716455014 711574293 /nfs/dbraw/zinc/57/42/93/711574293.db2.gz GTFNEHITYLSTJV-ZEBDFXRSSA-N -1 0 211.261 0.868 20 0 BCADRM O=C([O-])c1cc(NCCc2ccco2)ncn1 ZINC000383536108 711592628 /nfs/dbraw/zinc/59/26/28/711592628.db2.gz SGADSKMHOUOVRB-UHFFFAOYSA-N -1 0 233.227 0.844 20 0 BCADRM CCC(C)(C)N(C)C(=O)NCCOCC(=O)[O-] ZINC000093230221 711616043 /nfs/dbraw/zinc/61/60/43/711616043.db2.gz JFSZSBRDSFBYLH-UHFFFAOYSA-N -1 0 246.307 0.918 20 0 BCADRM C/C=C(\C)C(=O)[N-]S(=O)(=O)C(C)C ZINC000179370992 711684559 /nfs/dbraw/zinc/68/45/59/711684559.db2.gz PDMJLUPSOGNVKW-FNORWQNLSA-N -1 0 205.279 0.807 20 0 BCADRM O=C([O-])COCC(=O)N[C@@H]1CC12CCCCC2 ZINC000395736636 711697111 /nfs/dbraw/zinc/69/71/11/711697111.db2.gz IFVWKHAHGMLMTN-SECBINFHSA-N -1 0 241.287 0.927 20 0 BCADRM CCCC(=O)NCC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000236709155 711713605 /nfs/dbraw/zinc/71/36/05/711713605.db2.gz YPKMKRZXZRBONX-MRVPVSSYSA-N -1 0 244.291 0.082 20 0 BCADRM C[C@@H](CC(=O)[O-])NC(=O)C[C@@H]1CCCOC1 ZINC000257633432 711719512 /nfs/dbraw/zinc/71/95/12/711719512.db2.gz HTPWLYRFJHXSAQ-IUCAKERBSA-N -1 0 229.276 0.783 20 0 BCADRM CC(C)[C@@H](O)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000909351015 711724995 /nfs/dbraw/zinc/72/49/95/711724995.db2.gz HJYRWNJYKIRQBO-GMSGAONNSA-N -1 0 247.316 0.080 20 0 BCADRM CCC[C@H](CNC(=O)[C@@H]1CCOC1)C(=O)[O-] ZINC000083602442 711754019 /nfs/dbraw/zinc/75/40/19/711754019.db2.gz WCJSGPWAKSLLLM-RKDXNWHRSA-N -1 0 229.276 0.640 20 0 BCADRM COC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722465289 711758018 /nfs/dbraw/zinc/75/80/18/711758018.db2.gz SVDYZXRASCUOOC-RKDXNWHRSA-N -1 0 243.303 0.981 20 0 BCADRM CCO[C@H](C)C(=O)N[C@H](C)CC(=O)[O-] ZINC000236912702 711763132 /nfs/dbraw/zinc/76/31/32/711763132.db2.gz UBLZJWFECUYLLU-RNFRBKRXSA-N -1 0 203.238 0.391 20 0 BCADRM CCO[C@@H](C)C(=O)N[C@@H](C)CC(=O)[O-] ZINC000237026318 711764202 /nfs/dbraw/zinc/76/42/02/711764202.db2.gz UBLZJWFECUYLLU-BQBZGAKWSA-N -1 0 203.238 0.391 20 0 BCADRM CO[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)C(C)C ZINC000909421380 711774739 /nfs/dbraw/zinc/77/47/39/711774739.db2.gz LFHTURANHOMREK-RKDXNWHRSA-N -1 0 229.276 0.591 20 0 BCADRM C[C@](O)(CNC(=O)C1C(C)(C)C1(C)C)C(=O)[O-] ZINC000091482376 711775860 /nfs/dbraw/zinc/77/58/60/711775860.db2.gz WIJDMWBHKBLRRU-LBPRGKRZSA-N -1 0 243.303 0.620 20 0 BCADRM CON(C)Cc1c([O-])nnn1-c1ccccc1 ZINC000049227418 711775969 /nfs/dbraw/zinc/77/59/69/711775969.db2.gz TYEDFBWFSRZXOK-UHFFFAOYSA-N -1 0 234.259 0.966 20 0 BCADRM C[C@@H](CCC(=O)[O-])NC(=O)c1cocn1 ZINC000909450415 711777171 /nfs/dbraw/zinc/77/71/71/711777171.db2.gz SJCKEAKWQCXNFP-LURJTMIESA-N -1 0 212.205 0.658 20 0 BCADRM CCn1ncc(C(=O)NC[C@H](C)CC(=O)[O-])n1 ZINC000909491735 711778547 /nfs/dbraw/zinc/77/85/47/711778547.db2.gz OJRZXFYOFHZLKP-SSDOTTSWSA-N -1 0 240.263 0.139 20 0 BCADRM CCn1ncc(C(=O)NC[C@@H](C)CC(=O)[O-])n1 ZINC000909491738 711778599 /nfs/dbraw/zinc/77/85/99/711778599.db2.gz OJRZXFYOFHZLKP-ZETCQYMHSA-N -1 0 240.263 0.139 20 0 BCADRM O=C(CN1CCCC1=O)[N-]OCc1ccccn1 ZINC000909528694 711781549 /nfs/dbraw/zinc/78/15/49/711781549.db2.gz YQOOIBOCHKFHRZ-UHFFFAOYSA-N -1 0 249.270 0.252 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000909553455 711783067 /nfs/dbraw/zinc/78/30/67/711783067.db2.gz PATBGCLRPOTZPC-NXEZZACHSA-N -1 0 243.303 0.981 20 0 BCADRM CC[C@@H](CO)C(=O)NC(CC)(CC)C(=O)[O-] ZINC000909615448 711786298 /nfs/dbraw/zinc/78/62/98/711786298.db2.gz JPHHJGMYGQRXFG-QMMMGPOBSA-N -1 0 231.292 0.765 20 0 BCADRM CC/C(C)=C\C(=O)N[C@H](CCOC)C(=O)[O-] ZINC000909625901 711786551 /nfs/dbraw/zinc/78/65/51/711786551.db2.gz NJHPIOBWTMBGBF-UFGYOYAJSA-N -1 0 229.276 0.949 20 0 BCADRM COC[C@@H](CN1CCOC[C@@H]1C(=O)[O-])C(C)C ZINC000721858999 711791722 /nfs/dbraw/zinc/79/17/22/711791722.db2.gz KJMUCACJABJWRL-GHMZBOCLSA-N -1 0 245.319 0.690 20 0 BCADRM Cc1ncoc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000159390704 711804275 /nfs/dbraw/zinc/80/42/75/711804275.db2.gz URVULSKPVWSMLB-JGVFFNPUSA-N -1 0 238.243 0.918 20 0 BCADRM Cc1ncoc1C(=O)NC[C@H](C)CC(=O)[O-] ZINC000159398716 711804366 /nfs/dbraw/zinc/80/43/66/711804366.db2.gz HGUCRUWFVNGHAA-ZCFIWIBFSA-N -1 0 226.232 0.824 20 0 BCADRM CC(=O)N[C@@H](COCC(C)C)C(=O)[O-] ZINC000083828238 711810416 /nfs/dbraw/zinc/81/04/16/711810416.db2.gz UOVLHLBIGZTECS-QMMMGPOBSA-N -1 0 203.238 0.248 20 0 BCADRM C[C@@H]1COC[C@@H]1NC(=O)N[C@H](CCF)C(=O)[O-] ZINC000905605218 711812989 /nfs/dbraw/zinc/81/29/89/711812989.db2.gz BSOBXBLEOZPPQV-PRJMDXOYSA-N -1 0 248.254 0.133 20 0 BCADRM CC[C@H](COC)NC(=O)[C@@H](CC)C(=O)[O-] ZINC000908714007 711817114 /nfs/dbraw/zinc/81/71/14/711817114.db2.gz YRFXAKMAYDQQSG-HTQZYQBOSA-N -1 0 217.265 0.638 20 0 BCADRM C[C@@H](NC(=O)NCCC1(O)CCC1)C(=O)[O-] ZINC000909140037 711817385 /nfs/dbraw/zinc/81/73/85/711817385.db2.gz NEWZLVOCVUKLFS-SSDOTTSWSA-N -1 0 230.264 0.064 20 0 BCADRM CC[C@H](CO)C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000909999117 711817897 /nfs/dbraw/zinc/81/78/97/711817897.db2.gz HJSSNUNUOHZVAF-VDDIYKPWSA-N -1 0 243.303 0.765 20 0 BCADRM Cc1nocc1CNC(=O)[C@H](C(=O)[O-])C(C)C ZINC000910668106 711818306 /nfs/dbraw/zinc/81/83/06/711818306.db2.gz KYJHIHIMGSQDKR-SECBINFHSA-N -1 0 240.259 0.956 20 0 BCADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H](O)C2)C1 ZINC000911437335 711818899 /nfs/dbraw/zinc/81/88/99/711818899.db2.gz LBCOZBUQDKNUAE-AATLWQCWSA-N -1 0 241.287 0.517 20 0 BCADRM CCCN(C(=O)Cc1nnc[nH]1)[C@@H](C)C(=O)[O-] ZINC000911709498 711819320 /nfs/dbraw/zinc/81/93/20/711819320.db2.gz VGGTZGSJPXQWOB-ZETCQYMHSA-N -1 0 240.263 0.059 20 0 BCADRM C/C=C(/C)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC000913494938 711822555 /nfs/dbraw/zinc/82/25/55/711822555.db2.gz DKHTVXHGRXOXPP-PFPYCLJUSA-N -1 0 237.263 0.066 20 0 BCADRM CO[C@@H](C)CCC(=O)NC(C)(C)C(=O)[O-] ZINC000166716747 711827517 /nfs/dbraw/zinc/82/75/17/711827517.db2.gz XTMYTEIHPQMWSP-ZETCQYMHSA-N -1 0 217.265 0.781 20 0 BCADRM CCN(CC(=O)[O-])C(=O)CC[C@@H](C)OC ZINC000166715463 711827528 /nfs/dbraw/zinc/82/75/28/711827528.db2.gz ZOWFDVLMQFUHMN-MRVPVSSYSA-N -1 0 217.265 0.735 20 0 BCADRM CO[C@@H](C)CCC(=O)N[C@@H](C)CC(=O)[O-] ZINC000166713383 711827611 /nfs/dbraw/zinc/82/76/11/711827611.db2.gz LJEMDFOXRFGZIM-YUMQZZPRSA-N -1 0 217.265 0.781 20 0 BCADRM C[S@@](=O)CCNC(=O)c1ccc(F)cc1[O-] ZINC000228310059 711834344 /nfs/dbraw/zinc/83/43/44/711834344.db2.gz APJKNZUBFHPATI-MRXNPFEDSA-N -1 0 245.275 0.640 20 0 BCADRM C[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721271202 711876739 /nfs/dbraw/zinc/87/67/39/711876739.db2.gz CPIXCADWVVZUOQ-KBDSZGMXSA-N -1 0 223.272 0.822 20 0 BCADRM CC[C@H](NC(=O)NCc1cscn1)C(=O)[O-] ZINC000084733032 711926951 /nfs/dbraw/zinc/92/69/51/711926951.db2.gz OWSMSEIGEXGJQF-ZETCQYMHSA-N -1 0 243.288 0.806 20 0 BCADRM CCCN(C)S(=O)(=O)[N-]C(=O)C(C)(C)C ZINC000153813989 711937939 /nfs/dbraw/zinc/93/79/39/711937939.db2.gz IMLMPSWLHZDKFB-UHFFFAOYSA-N -1 0 236.337 0.735 20 0 BCADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)CCO ZINC000132370775 711957660 /nfs/dbraw/zinc/95/76/60/711957660.db2.gz ZJEIURWIDXZDKI-SFYZADRCSA-N -1 0 217.265 0.374 20 0 BCADRM C[C@H](Nc1nccn2cnnc12)[C@H](C)C(=O)[O-] ZINC000133527923 711958489 /nfs/dbraw/zinc/95/84/89/711958489.db2.gz LKXGUKVUGUEOCT-BQBZGAKWSA-N -1 0 235.247 0.645 20 0 BCADRM C[C@@H](Nc1nccn2cnnc12)[C@@H](C)C(=O)[O-] ZINC000133527703 711958627 /nfs/dbraw/zinc/95/86/27/711958627.db2.gz LKXGUKVUGUEOCT-RNFRBKRXSA-N -1 0 235.247 0.645 20 0 BCADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000701017633 712011975 /nfs/dbraw/zinc/01/19/75/712011975.db2.gz BRWMERJCOLFOOT-HMELBQQSSA-N -1 0 241.287 0.635 20 0 BCADRM C[C@H](C(=O)[O-])C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000701042687 712012993 /nfs/dbraw/zinc/01/29/93/712012993.db2.gz QRSQTBHLHUDXQF-LJASKYJCSA-N -1 0 229.276 0.635 20 0 BCADRM CC1(C)CC(C(=O)NCCOCC(=O)[O-])C1 ZINC000701466714 712024432 /nfs/dbraw/zinc/02/44/32/712024432.db2.gz JHGWGSCCXFIOOO-UHFFFAOYSA-N -1 0 229.276 0.640 20 0 BCADRM CC1(C)CC(C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000701471450 712024485 /nfs/dbraw/zinc/02/44/85/712024485.db2.gz KOILZLDTNAJTRV-SECBINFHSA-N -1 0 241.287 0.735 20 0 BCADRM CC1(C)CC(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC000701505545 712025252 /nfs/dbraw/zinc/02/52/52/712025252.db2.gz FQIDCGYCNJNVLL-LBPRGKRZSA-N -1 0 241.287 0.471 20 0 BCADRM Cc1nnccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000701760147 712028802 /nfs/dbraw/zinc/02/88/02/712028802.db2.gz NFVNPCBRYVBPDB-OCAPTIKFSA-N -1 0 235.243 0.378 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)c1ccnnc1C ZINC000701804214 712029587 /nfs/dbraw/zinc/02/95/87/712029587.db2.gz VADOTEIPXMSMLQ-UHFFFAOYSA-N -1 0 237.259 0.722 20 0 BCADRM CC(C)[C@H](CNC(=O)c1cccnn1)C(=O)[O-] ZINC000701792719 712029628 /nfs/dbraw/zinc/02/96/28/712029628.db2.gz XHQCLKDNESFYEG-QMMMGPOBSA-N -1 0 237.259 0.563 20 0 BCADRM CCO[C@H]1CCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC000701835644 712030531 /nfs/dbraw/zinc/03/05/31/712030531.db2.gz HLJJLTGAFZOLSR-QMMMGPOBSA-N -1 0 245.304 0.209 20 0 BCADRM 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CO[C@H](C(=O)[O-])C(=O)N1CC[C@H](CC(C)C)C1 ZINC000713219178 712455285 /nfs/dbraw/zinc/45/52/85/712455285.db2.gz UVEJDCLNUIIJPQ-ZJUUUORDSA-N -1 0 243.303 0.981 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N(C)Cc1ccco1 ZINC000713225147 712455617 /nfs/dbraw/zinc/45/56/17/712455617.db2.gz FKCAISVSHZBNGG-QMMMGPOBSA-N -1 0 227.216 0.338 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)Nc1cncc(C)c1 ZINC000713225080 712455648 /nfs/dbraw/zinc/45/56/48/712455648.db2.gz DJNWTWQYBCNUCW-QMMMGPOBSA-N -1 0 224.216 0.428 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N(C)Cc1ccccc1 ZINC000713241269 712456246 /nfs/dbraw/zinc/45/62/46/712456246.db2.gz NOZIZJGMYZSZKJ-SNVBAGLBSA-N -1 0 237.255 0.745 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000713247450 712456699 /nfs/dbraw/zinc/45/66/99/712456699.db2.gz YSPHWQNBHOQVFN-ULAWRXDQSA-N -1 0 213.233 0.001 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N1CC[C@H](C(C)C)C1 ZINC000713255590 712456941 /nfs/dbraw/zinc/45/69/41/712456941.db2.gz YYRQVJALFMUBEC-DTWKUNHWSA-N -1 0 229.276 0.591 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N1CCCCC[C@@H]1C ZINC000713257560 712457001 /nfs/dbraw/zinc/45/70/01/712457001.db2.gz BGCXZLALGGNEPM-IUCAKERBSA-N -1 0 229.276 0.877 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC2(CCC2)C1 ZINC000713260001 712457022 /nfs/dbraw/zinc/45/70/22/712457022.db2.gz MXFYSHBLUVLEBX-MRVPVSSYSA-N -1 0 227.260 0.489 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000713271313 712457228 /nfs/dbraw/zinc/45/72/28/712457228.db2.gz ZYXNBXYIPRRWNK-SFYZADRCSA-N -1 0 215.249 0.487 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N1CCCC1(C)C ZINC000713264680 712457346 /nfs/dbraw/zinc/45/73/46/712457346.db2.gz DMHAAWVNBQLHBJ-ZETCQYMHSA-N -1 0 215.249 0.487 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)NC[C@]12C[C@H]1CCCC2 ZINC000713277398 712457587 /nfs/dbraw/zinc/45/75/87/712457587.db2.gz TYWGWGNLPGPFEQ-PTRXPTGYSA-N -1 0 241.287 0.783 20 0 BCADRM CC[C@H](C)[C@H](C)NC(=O)[C@@H](OC)C(=O)[O-] ZINC000713283274 712458137 /nfs/dbraw/zinc/45/81/37/712458137.db2.gz ZKSPOSYXGFOXHF-BIIVOSGPSA-N -1 0 217.265 0.637 20 0 BCADRM C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000714395087 712487621 /nfs/dbraw/zinc/48/76/21/712487621.db2.gz WHVXGUXMUUZKTQ-VGMNWLOBSA-N -1 0 229.276 0.374 20 0 BCADRM C[C@H]1CCCC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000714395073 712487713 /nfs/dbraw/zinc/48/77/13/712487713.db2.gz WHVXGUXMUUZKTQ-CIUDSAMLSA-N -1 0 229.276 0.374 20 0 BCADRM CO[C@H]1C[C@H](CNC(=O)NC(C)(C)C(=O)[O-])C1 ZINC000714614412 712488719 /nfs/dbraw/zinc/48/87/19/712488719.db2.gz PPTHOUZMQPXSRI-ZKCHVHJHSA-N -1 0 244.291 0.574 20 0 BCADRM CO[C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC000714695887 712495964 /nfs/dbraw/zinc/49/59/64/712495964.db2.gz JESFTEGAGXPCCX-ZYUZMQFOSA-N -1 0 241.287 0.638 20 0 BCADRM CN(CC(=O)[O-])S(=O)(=O)CCCC1CC1 ZINC000714955821 712503494 /nfs/dbraw/zinc/50/34/94/712503494.db2.gz BTGRIOYRUMXQDR-UHFFFAOYSA-N -1 0 235.305 0.523 20 0 BCADRM CCO[C@H]1C[C@H]1C(=O)N[C@H](C)CC(=O)[O-] ZINC000715043503 712504547 /nfs/dbraw/zinc/50/45/47/712504547.db2.gz 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ZINC000715280844 712515490 /nfs/dbraw/zinc/51/54/90/712515490.db2.gz CIOANALLBMCBIH-MAUMQABQSA-N -1 0 227.260 0.248 20 0 BCADRM C[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@@H]1C(=O)[O-] ZINC000715280846 712515500 /nfs/dbraw/zinc/51/55/00/712515500.db2.gz CIOANALLBMCBIH-XAVMHZPKSA-N -1 0 227.260 0.248 20 0 BCADRM O=C([O-])CCNC(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715501211 712523985 /nfs/dbraw/zinc/52/39/85/712523985.db2.gz DXBZHSCWOCZQIS-OLQVQODUSA-N -1 0 234.202 0.368 20 0 BCADRM O=C([O-])[C@H](NC(=O)c1ccn[nH]1)c1ccccc1 ZINC000036978032 712525636 /nfs/dbraw/zinc/52/56/36/712525636.db2.gz PIXPPXPCRVZPGZ-SNVBAGLBSA-N -1 0 245.238 0.965 20 0 BCADRM O=C([O-])COCC(=O)NCC[C@H]1CCCS1 ZINC000715888061 712540045 /nfs/dbraw/zinc/54/00/45/712540045.db2.gz DZGDLFOWZVOQAX-MRVPVSSYSA-N -1 0 247.316 0.490 20 0 BCADRM Cc1ccnc(NC[C@@H]2CCO[C@@H]2C(=O)[O-])n1 ZINC000716161108 712552828 /nfs/dbraw/zinc/55/28/28/712552828.db2.gz QDMKCRRMRPRLKY-IUCAKERBSA-N -1 0 237.259 0.687 20 0 BCADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)COCC(=O)[O-] ZINC000716434874 712560536 /nfs/dbraw/zinc/56/05/36/712560536.db2.gz FMCHAKWJBOHQBX-XFWSIPNHSA-N -1 0 241.287 0.496 20 0 BCADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)NCC(=O)[O-] ZINC000716512192 712566895 /nfs/dbraw/zinc/56/68/95/712566895.db2.gz XQLPJMOLGJKHMC-LURQLKTLSA-N -1 0 226.276 0.662 20 0 BCADRM C[C@](NC(=O)Cc1ccncc1)(C(=O)[O-])C1CC1 ZINC000037366398 712578089 /nfs/dbraw/zinc/57/80/89/712578089.db2.gz MFEZEANYUUKOHU-CYBMUJFWSA-N -1 0 248.282 0.994 20 0 BCADRM C[C@H]1C[C@@H](NNC2CCC(C(=O)[O-])CC2)CO1 ZINC000831072714 712595365 /nfs/dbraw/zinc/59/53/65/712595365.db2.gz RTUZVZPBHDZERE-IDWGSYCQSA-N -1 0 242.319 0.901 20 0 BCADRM O=c1[n-]c(SCCOC(F)F)n[nH]1 ZINC000853019732 712613086 /nfs/dbraw/zinc/61/30/86/712613086.db2.gz HMUFEIZDTRWAON-UHFFFAOYSA-N -1 0 211.193 0.842 20 0 BCADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(CO)cc1 ZINC000037457359 712640785 /nfs/dbraw/zinc/64/07/85/712640785.db2.gz OFCAWTGBNGVQJF-MRVPVSSYSA-N -1 0 237.255 0.772 20 0 BCADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@@H]1CCOC1 ZINC000717235744 712640955 /nfs/dbraw/zinc/64/09/55/712640955.db2.gz XUSNWRQEHWGVRD-SSDOTTSWSA-N -1 0 239.227 0.805 20 0 BCADRM COCCO[N-]C(=O)Cc1csc(C)n1 ZINC000135140188 712647519 /nfs/dbraw/zinc/64/75/19/712647519.db2.gz YAKSWCKHPFDGJX-UHFFFAOYSA-N -1 0 230.289 0.688 20 0 BCADRM Cc1cc(CN=c2[n-]nc(C)n2C)sn1 ZINC000380005391 712651844 /nfs/dbraw/zinc/65/18/44/712651844.db2.gz OYCUADXXTYRZFA-UHFFFAOYSA-N -1 0 223.305 0.922 20 0 BCADRM O=C([O-])CCN(C(=O)Cn1cccn1)C1CC1 ZINC000037582580 712664329 /nfs/dbraw/zinc/66/43/29/712664329.db2.gz JMQWXDOGBUHIIJ-UHFFFAOYSA-N -1 0 237.259 0.349 20 0 BCADRM C[C@@H]1CN(C(=O)COC2CC2)C[C@@]1(C)C(=O)[O-] ZINC000717682910 712664616 /nfs/dbraw/zinc/66/46/16/712664616.db2.gz CHSMVAGHIBMTFI-PRHODGIISA-N -1 0 241.287 0.735 20 0 BCADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)COC1CC1 ZINC000717695985 712665016 /nfs/dbraw/zinc/66/50/16/712665016.db2.gz QISLGMSYQATBQS-DTWKUNHWSA-N -1 0 241.287 0.877 20 0 BCADRM 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/nfs/dbraw/zinc/11/71/42/346117142.db2.gz RZXFVNBISQWLQG-MRVPVSSYSA-N -1 0 241.295 0.016 20 0 BCADRM CC[C@H](NC(=O)CCCc1nnn[n-]1)C(F)F ZINC000635973904 346129484 /nfs/dbraw/zinc/12/94/84/346129484.db2.gz RSVHONXOIKHKEQ-LURJTMIESA-N -1 0 247.249 0.682 20 0 BCADRM C[C@@H](OCC1CC1)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000237387270 537945880 /nfs/dbraw/zinc/94/58/80/537945880.db2.gz AXCZWIZTOYHYNS-DTWKUNHWSA-N -1 0 243.303 0.981 20 0 BCADRM CC[C@H](C(=O)[O-])[S@](=O)[C@H]1CCO[C@@H]1C ZINC000300338760 346147411 /nfs/dbraw/zinc/14/74/11/346147411.db2.gz STHZKCZQKQIKME-IJUVOGGTSA-N -1 0 220.290 0.776 20 0 BCADRM C[C@H](CN(C)C(=O)[C@H]1CO[C@H](C)C1)C(=O)[O-] ZINC000161933767 487527245 /nfs/dbraw/zinc/52/72/45/487527245.db2.gz FJINFOXVRQIJRD-IWSPIJDZSA-N -1 0 229.276 0.591 20 0 BCADRM C[C@@H](NC(=O)[C@H]1CO[C@H](C)C1)C(=O)[O-] ZINC000161933233 487527279 /nfs/dbraw/zinc/52/72/79/487527279.db2.gz SKAHRYOMQLOATM-FSDSQADBSA-N -1 0 201.222 0.001 20 0 BCADRM CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000136323701 346196209 /nfs/dbraw/zinc/19/62/09/346196209.db2.gz GXNVEJUXPYTIGP-ZETCQYMHSA-N -1 0 227.260 0.677 20 0 BCADRM CC1(C)[C@@H](O)C[C@@H]1NC(=O)NCCCC(=O)[O-] ZINC000263481470 535033216 /nfs/dbraw/zinc/03/32/16/535033216.db2.gz ODTTXQMLGRGUPO-YUMQZZPRSA-N -1 0 244.291 0.310 20 0 BCADRM O=C([O-])CSCC(=O)NCC[C@@H]1CCOC1 ZINC000236429351 346239689 /nfs/dbraw/zinc/23/96/89/346239689.db2.gz NTVHEPWOEXTYHW-MRVPVSSYSA-N -1 0 247.316 0.347 20 0 BCADRM CC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000069552528 349949042 /nfs/dbraw/zinc/94/90/42/349949042.db2.gz GSDXDVCYDWJNGU-VIFPVBQESA-N -1 0 208.217 0.213 20 0 BCADRM Cc1n[nH]cc1CN(C)C(=O)c1cc(=O)n(C)[n-]1 ZINC000636070033 346310683 /nfs/dbraw/zinc/31/06/83/346310683.db2.gz FEDFCEUQKXUWOL-UHFFFAOYSA-N -1 0 249.274 0.429 20 0 BCADRM Cc1cccc(CC(=O)NCC(=O)[O-])c1 ZINC000052127211 179052403 /nfs/dbraw/zinc/05/24/03/179052403.db2.gz REHOCKCHIHJNOS-UHFFFAOYSA-N -1 0 207.229 0.738 20 0 BCADRM CO[C@@H](C)[C@H](C)NC(=O)[C@H](C)C(=O)[O-] ZINC000570631576 346364632 /nfs/dbraw/zinc/36/46/32/346364632.db2.gz FOCHJIFSFPUWHX-ACZMJKKPSA-N -1 0 203.238 0.247 20 0 BCADRM C[C@H]1OCCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])[C@@H]1C ZINC000397548392 346379850 /nfs/dbraw/zinc/37/98/50/346379850.db2.gz XFDUOTVJKXYNJK-KYXWUPHJSA-N -1 0 241.287 0.733 20 0 BCADRM CC(C)OC1CN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000636321372 346391683 /nfs/dbraw/zinc/39/16/83/346391683.db2.gz CCSFARFWLQPVJN-UHFFFAOYSA-N -1 0 239.275 0.375 20 0 BCADRM COC[C@@H](NC(=O)c1oc(C)nc1C)C(=O)[O-] ZINC000159399581 346420117 /nfs/dbraw/zinc/42/01/17/346420117.db2.gz TZTKVLUZALQCKU-SSDOTTSWSA-N -1 0 242.231 0.121 20 0 BCADRM Cn1nccc1NC(=O)NCCCC(=O)[O-] ZINC000170590209 346422029 /nfs/dbraw/zinc/42/20/29/346422029.db2.gz CADDWDMZFFNQSZ-UHFFFAOYSA-N -1 0 226.236 0.406 20 0 BCADRM COCC1(CC(=O)N[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000401191791 346424044 /nfs/dbraw/zinc/42/40/44/346424044.db2.gz IZHOVPHTTVABDF-SNVBAGLBSA-N -1 0 241.287 0.783 20 0 BCADRM Cc1cccc(CNC(=O)NCC(=O)[O-])c1 ZINC000019978141 179086216 /nfs/dbraw/zinc/08/62/16/179086216.db2.gz JAGQSCXRVSZDGK-UHFFFAOYSA-N -1 0 222.244 0.879 20 0 BCADRM Cc1cccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC000051575740 179087338 /nfs/dbraw/zinc/08/73/38/179087338.db2.gz UXVWKARLLWANPE-NXEZZACHSA-N -1 0 234.255 0.727 20 0 BCADRM Cc1cccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC000051575742 179087900 /nfs/dbraw/zinc/08/79/00/179087900.db2.gz UXVWKARLLWANPE-VHSXEESVSA-N -1 0 234.255 0.727 20 0 BCADRM COCC(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000229605007 346442262 /nfs/dbraw/zinc/44/22/62/346442262.db2.gz LTUXTNKRDAFSID-UHFFFAOYSA-N -1 0 212.205 0.606 20 0 BCADRM COCC1(CC(=O)NC[C@H](OC)C(=O)[O-])CC1 ZINC000401204168 346449604 /nfs/dbraw/zinc/44/96/04/346449604.db2.gz QJWXAQFTDVILGR-QMMMGPOBSA-N -1 0 245.275 0.019 20 0 BCADRM CN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCOC1 ZINC000160389670 346450870 /nfs/dbraw/zinc/45/08/70/346450870.db2.gz AFMNOHKANRQBSL-SECBINFHSA-N -1 0 244.291 0.672 20 0 BCADRM CC1(C)CN(c2ncncc2C(=O)[O-])C[C@@H]1O ZINC000387801029 347093294 /nfs/dbraw/zinc/09/32/94/347093294.db2.gz OGFYRARRVGNZJY-QMMMGPOBSA-N -1 0 237.259 0.382 20 0 BCADRM COCC1(CC(=O)N(CC(=O)[O-])C2CC2)CC1 ZINC000401219989 346475893 /nfs/dbraw/zinc/47/58/93/346475893.db2.gz ZFYPXFNSJSSOAG-UHFFFAOYSA-N -1 0 241.287 0.879 20 0 BCADRM CC[C@@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CC2)CCO1 ZINC000580080016 346516187 /nfs/dbraw/zinc/51/61/87/346516187.db2.gz MBWXVGHGBJBKES-DTWKUNHWSA-N -1 0 241.287 0.925 20 0 BCADRM CN(c1nc(C(=O)[O-])co1)[C@@H]1CCCOC1 ZINC000402162770 349972467 /nfs/dbraw/zinc/97/24/67/349972467.db2.gz STXGINBKVXYLCX-SSDOTTSWSA-N -1 0 226.232 0.988 20 0 BCADRM CCc1nc([C@H](C)N=c2nn[n-]n2C)cs1 ZINC000390501433 259391441 /nfs/dbraw/zinc/39/14/41/259391441.db2.gz UUTKQTQFHWVFNC-LURJTMIESA-N -1 0 238.320 0.824 20 0 BCADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1cccs1 ZINC000163889128 346581692 /nfs/dbraw/zinc/58/16/92/346581692.db2.gz SWPKCHDUAWQEJS-LURJTMIESA-N -1 0 247.297 0.596 20 0 BCADRM C[C@H](C(=O)NC1(C(=O)[O-])CC1)n1cccn1 ZINC000203663794 346646686 /nfs/dbraw/zinc/64/66/86/346646686.db2.gz FOJNDTJDJSDCSA-SSDOTTSWSA-N -1 0 223.232 0.178 20 0 BCADRM CC(C)C[C@H](NC(=O)c1cnnn1C)C(=O)[O-] ZINC000580194288 346649041 /nfs/dbraw/zinc/64/90/41/346649041.db2.gz GYWIKYMVQKCOAH-ZETCQYMHSA-N -1 0 240.263 0.044 20 0 BCADRM O=C([O-])C(=O)NCCOCc1ccccc1 ZINC000164760390 346623669 /nfs/dbraw/zinc/62/36/69/346623669.db2.gz CFYZGGCWPUBVPZ-UHFFFAOYSA-N -1 0 223.228 0.404 20 0 BCADRM C[C@@H](NC(=O)NCc1ccco1)C(=O)[O-] ZINC000005912631 346632825 /nfs/dbraw/zinc/63/28/25/346632825.db2.gz GPGCKKXFGOADOU-ZCFIWIBFSA-N -1 0 212.205 0.552 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)c1cncc(C#N)n1 ZINC000401451717 346718189 /nfs/dbraw/zinc/71/81/89/346718189.db2.gz AMXAGVWBDONJET-LURJTMIESA-N -1 0 206.205 0.258 20 0 BCADRM CC1(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)CC1 ZINC000580651847 365846978 /nfs/dbraw/zinc/84/69/78/365846978.db2.gz UIGFOZODZOTUSA-JGVFFNPUSA-N -1 0 245.300 0.488 20 0 BCADRM CC(C)(C)c1nccc(NCc2n[nH]c(=O)[n-]2)n1 ZINC000301587133 187371706 /nfs/dbraw/zinc/37/17/06/187371706.db2.gz WEJVFVTZMJXZSB-UHFFFAOYSA-N -1 0 248.290 0.798 20 0 BCADRM Cc1nn(C(C)C)cc1C(=O)NCCC(=O)[O-] ZINC000563638853 323133322 /nfs/dbraw/zinc/13/33/22/323133322.db2.gz UXRLZYBARSCAGP-UHFFFAOYSA-N -1 0 239.275 0.977 20 0 BCADRM Cc1cccc(NCc2n[nH]c(=O)[n-]2)n1 ZINC000336744494 179151459 /nfs/dbraw/zinc/15/14/59/179151459.db2.gz ZMLLYFYCDAJSEA-UHFFFAOYSA-N -1 0 205.221 0.826 20 0 BCADRM CSc1nn(Cc2c(C)noc2C)c(=O)[n-]1 ZINC000188157470 346792128 /nfs/dbraw/zinc/79/21/28/346792128.db2.gz JVHQNAXODQMFET-UHFFFAOYSA-N -1 0 240.288 0.946 20 0 BCADRM C[C@@H](O)[C@@H]1CCCN(c2nc(C(=O)[O-])co2)C1 ZINC000582065271 347160034 /nfs/dbraw/zinc/16/00/34/347160034.db2.gz GSDSLSUPBSWCIP-HTQZYQBOSA-N -1 0 240.259 0.970 20 0 BCADRM C[C@H](O)[C@@H]1CCCN(c2nc(C(=O)[O-])co2)C1 ZINC000582065272 347160311 /nfs/dbraw/zinc/16/03/11/347160311.db2.gz GSDSLSUPBSWCIP-JGVFFNPUSA-N -1 0 240.259 0.970 20 0 BCADRM Cc1nc(=NC[C@@H](O)[C@H]2CCOC2)s[n-]1 ZINC000380096333 365877377 /nfs/dbraw/zinc/87/73/77/365877377.db2.gz KKFBOPZXLRADKG-JGVFFNPUSA-N -1 0 229.305 0.078 20 0 BCADRM CNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000062842700 347181790 /nfs/dbraw/zinc/18/17/90/347181790.db2.gz DKJKKDSZPXNXFF-UHFFFAOYSA-N -1 0 200.238 0.513 20 0 BCADRM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]1 ZINC000571173700 323137504 /nfs/dbraw/zinc/13/75/04/323137504.db2.gz DXGFRKUYKYCMOC-QUBYGPBYSA-N -1 0 224.264 0.675 20 0 BCADRM C[C@@H](NC(=O)Cc1ccccc1O)C(=O)[O-] ZINC000087797722 362791870 /nfs/dbraw/zinc/79/18/70/362791870.db2.gz CYHUSPXCZVXJQJ-SSDOTTSWSA-N -1 0 223.228 0.524 20 0 BCADRM CN(CC(=O)[O-])C(=O)Cc1ccccc1O ZINC000087797724 362791879 /nfs/dbraw/zinc/79/18/79/362791879.db2.gz XBUPHNBHYHBQNP-UHFFFAOYSA-N -1 0 223.228 0.478 20 0 BCADRM O=C([O-])C1(NC(=O)NCc2ccoc2)CC1 ZINC000163550434 323143692 /nfs/dbraw/zinc/14/36/92/323143692.db2.gz DJDGLLQRAGVTCO-UHFFFAOYSA-N -1 0 224.216 0.696 20 0 BCADRM COC[C@@H](NC(=O)CSC(C)C)C(=O)[O-] ZINC000088000150 362818610 /nfs/dbraw/zinc/81/86/10/362818610.db2.gz OSJYRBPVNJYCRW-SSDOTTSWSA-N -1 0 235.305 0.344 20 0 BCADRM CCN(CCSC)S(=O)(=O)c1ncc[n-]1 ZINC000601453283 347373871 /nfs/dbraw/zinc/37/38/71/347373871.db2.gz HZAQDHYKNKQANZ-UHFFFAOYSA-N -1 0 249.361 0.783 20 0 BCADRM CSc1cncc(N2CC(C(=O)[O-])C2)n1 ZINC000263566682 136750506 /nfs/dbraw/zinc/75/05/06/136750506.db2.gz WVQWMQUOYMWXOA-UHFFFAOYSA-N -1 0 225.273 0.719 20 0 BCADRM CCN(CC)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000019979881 347382840 /nfs/dbraw/zinc/38/28/40/347382840.db2.gz VQRBAVQNDWPVKI-QMMMGPOBSA-N -1 0 214.265 0.997 20 0 BCADRM COC[C@@H](C)CNC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000054068137 347424841 /nfs/dbraw/zinc/42/48/41/347424841.db2.gz RMKKMYYZBVZYIO-YUMQZZPRSA-N -1 0 232.280 0.383 20 0 BCADRM COC[C@H](C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000250963869 362828887 /nfs/dbraw/zinc/82/88/87/362828887.db2.gz AUIWKTHRJVGIRC-LPEHRKFASA-N -1 0 241.287 0.805 20 0 BCADRM Cc1nc(C)c(CN=c2nn[n-]n2C)s1 ZINC000380109111 365885850 /nfs/dbraw/zinc/88/58/50/365885850.db2.gz NSPJVQUHEJWUHJ-UHFFFAOYSA-N -1 0 224.293 0.317 20 0 BCADRM O=C([O-])[C@@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC000380103521 365880663 /nfs/dbraw/zinc/88/06/63/365880663.db2.gz MNXYUCMAIOKNPG-ZBJFTSOASA-N -1 0 209.245 0.886 20 0 BCADRM COCC[C@@H](C)CNC(=O)c1cc(=O)[nH][n-]1 ZINC000616259016 347508834 /nfs/dbraw/zinc/50/88/34/347508834.db2.gz KNMZBEOXBCYMHX-SSDOTTSWSA-N -1 0 227.264 0.518 20 0 BCADRM COCC[C@H](C)CNC(=O)c1cc(=O)n(C)[n-]1 ZINC000616259070 347508905 /nfs/dbraw/zinc/50/89/05/347508905.db2.gz MGMPMYJMQALPPR-QMMMGPOBSA-N -1 0 241.291 0.528 20 0 BCADRM CC[C@H](C)N(CC)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000616978697 347561145 /nfs/dbraw/zinc/56/11/45/347561145.db2.gz DRJNPSDOLRQOKJ-LURJTMIESA-N -1 0 240.263 0.543 20 0 BCADRM CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000359481454 187379643 /nfs/dbraw/zinc/37/96/43/187379643.db2.gz MAXUXWQAFQCGCZ-WRWORJQWSA-N -1 0 238.291 0.809 20 0 BCADRM CC[C@@H](C)C[C@H](NS(C)(=O)=O)C(=O)[O-] ZINC000308499832 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COCc1cccc(CC(=O)NCC(=O)[O-])c1 ZINC000263219806 385955373 /nfs/dbraw/zinc/95/53/73/385955373.db2.gz YLYUWVRLFUNYKM-UHFFFAOYSA-N -1 0 237.255 0.576 20 0 BCADRM CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408397858 385959797 /nfs/dbraw/zinc/95/97/97/385959797.db2.gz ZNZRPBHMGHETDU-YIZRAAEISA-N -1 0 247.316 0.266 20 0 BCADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000251208635 385961347 /nfs/dbraw/zinc/96/13/47/385961347.db2.gz LCFSVWMQKUYMQF-QCLAVDOMSA-N -1 0 239.271 0.345 20 0 BCADRM CC(C)[C@H]1C[C@H](NC(=O)C(=O)[O-])CCO1 ZINC000336769897 385995458 /nfs/dbraw/zinc/99/54/58/385995458.db2.gz WDNQNTFCDBAENV-HTQZYQBOSA-N -1 0 215.249 0.391 20 0 BCADRM CC1CC(C(=O)Nc2cnn(CC(=O)[O-])c2)C1 ZINC000647744933 385963142 /nfs/dbraw/zinc/96/31/42/385963142.db2.gz MFHCYMXOUXSPJH-UHFFFAOYSA-N -1 0 237.259 0.952 20 0 BCADRM CC[C@H](OC)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647745589 385970101 /nfs/dbraw/zinc/97/01/01/385970101.db2.gz IXEJAIOGGIYXDC-QMMMGPOBSA-N -1 0 241.247 0.331 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CCCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408399501 386016913 /nfs/dbraw/zinc/01/69/13/386016913.db2.gz IBRKUMCNMHLZRW-QMMMGPOBSA-N -1 0 235.305 0.412 20 0 BCADRM Cc1c(C(=O)NCc2nnn[n-]2)ccn1C(C)C ZINC000645388357 386019649 /nfs/dbraw/zinc/01/96/49/386019649.db2.gz HIKYWXORWZSIIY-UHFFFAOYSA-N -1 0 248.290 0.821 20 0 BCADRM Cc1nscc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000261527596 386038977 /nfs/dbraw/zinc/03/89/77/386038977.db2.gz DHMIESICCYKZCQ-YFKPBYRVSA-N -1 0 214.246 0.654 20 0 BCADRM Cc1cc(O)cc(=O)n1CC(=O)[N-]OC(C)C ZINC000295500162 386043917 /nfs/dbraw/zinc/04/39/17/386043917.db2.gz GKJGGBYPMABUCI-UHFFFAOYSA-N -1 0 240.259 0.319 20 0 BCADRM O=C([O-])C(=O)N1CCC(CCCO)CC1 ZINC000336773118 386110339 /nfs/dbraw/zinc/11/03/39/386110339.db2.gz YSDVXGGSRRPJOV-UHFFFAOYSA-N -1 0 215.249 0.082 20 0 BCADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000307714349 386068084 /nfs/dbraw/zinc/06/80/84/386068084.db2.gz DVLNUJLSDJRATG-BZNPZCIMSA-N -1 0 209.245 0.576 20 0 BCADRM CCc1cncc(C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000345236612 386075418 /nfs/dbraw/zinc/07/54/18/386075418.db2.gz GJNYPSDTWKTHSW-UHFFFAOYSA-N -1 0 247.258 0.398 20 0 BCADRM COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1[O-] ZINC000234533848 386076883 /nfs/dbraw/zinc/07/68/83/386076883.db2.gz FMHQKLHEMIQZFZ-LURJTMIESA-N -1 0 241.218 0.823 20 0 BCADRM CCOc1cccc(CCNC(=O)C(=O)[O-])c1 ZINC000274152982 386076971 /nfs/dbraw/zinc/07/69/71/386076971.db2.gz JBKNOMODAAOERR-UHFFFAOYSA-N -1 0 237.255 0.829 20 0 BCADRM C[C@@H](CNC(=O)C(=O)[O-])N(C)c1ccccc1 ZINC000274175061 386079934 /nfs/dbraw/zinc/07/99/34/386079934.db2.gz NQOXJYIMVLGUFA-VIFPVBQESA-N -1 0 236.271 0.712 20 0 BCADRM COC[C@H](CO)NC(=O)c1ccc(F)cc1[O-] ZINC000234761770 386097074 /nfs/dbraw/zinc/09/70/74/386097074.db2.gz MZWNJRSWYVLNTK-QMMMGPOBSA-N -1 0 243.234 0.268 20 0 BCADRM CCC[C@@H](O)CS(=O)(=O)c1nc(CC)c[nH]1 ZINC000296023205 386123312 /nfs/dbraw/zinc/12/33/12/386123312.db2.gz URHQRODVCRKJRU-SECBINFHSA-N -1 0 246.332 0.907 20 0 BCADRM C[C@H](CN(C)C(=O)/C=C/C1CC1)c1nnn[n-]1 ZINC000274779165 386148312 /nfs/dbraw/zinc/14/83/12/386148312.db2.gz NRIYKMPGUWLTLK-HQZHTGGTSA-N -1 0 235.291 0.728 20 0 BCADRM CC1(S(=O)(=O)[N-]C(=O)CC2CC2)CC1 ZINC000408345056 386154174 /nfs/dbraw/zinc/15/41/74/386154174.db2.gz FBWCHFLXWCILST-UHFFFAOYSA-N -1 0 217.290 0.785 20 0 BCADRM C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)C2(C)CC2)CO1 ZINC000408345073 386154425 /nfs/dbraw/zinc/15/44/25/386154425.db2.gz FGDKUDGPFIURCL-SFYZADRCSA-N -1 0 247.316 0.410 20 0 BCADRM CC(C)N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000274863402 386159033 /nfs/dbraw/zinc/15/90/33/386159033.db2.gz BEDCGTKACPXOEP-UHFFFAOYSA-N -1 0 230.293 0.057 20 0 BCADRM CC1(C)C(C(=O)Nc2nn[nH]n2)C1(C)C ZINC000346185514 386163083 /nfs/dbraw/zinc/16/30/83/386163083.db2.gz HHPAPMNMVKJYNB-UHFFFAOYSA-N -1 0 209.253 0.820 20 0 BCADRM CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCO2)CC1 ZINC000408348697 386168900 /nfs/dbraw/zinc/16/89/00/386168900.db2.gz DOTXZBKPQKPUBL-QMMMGPOBSA-N -1 0 247.316 0.554 20 0 BCADRM C[C@@H](CN=c1nn[n-]n1C)CC(F)F ZINC000645305037 386170198 /nfs/dbraw/zinc/17/01/98/386170198.db2.gz OJETZEQWXVJRMG-RXMQYKEDSA-N -1 0 205.212 0.335 20 0 BCADRM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC000408349416 386173361 /nfs/dbraw/zinc/17/33/61/386173361.db2.gz JEWQZSABIUDOBY-SFYZADRCSA-N -1 0 247.316 0.410 20 0 BCADRM O=C([O-])[C@H](CC(F)F)NC(=O)c1ccncc1 ZINC000310339385 386174262 /nfs/dbraw/zinc/17/42/62/386174262.db2.gz CKAKHBKCQLSPQV-ZETCQYMHSA-N -1 0 244.197 0.920 20 0 BCADRM CO[C@H](C)CCNC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000310463260 386186936 /nfs/dbraw/zinc/18/69/36/386186936.db2.gz FUJGNWOBCBZSCT-HRDYMLBCSA-N -1 0 243.303 0.884 20 0 BCADRM CCCc1nc(=NC(=O)c2c[nH]cn2)s[n-]1 ZINC000338768257 386135254 /nfs/dbraw/zinc/13/52/54/386135254.db2.gz AHIZDUMASAOLRC-UHFFFAOYSA-N -1 0 237.288 0.888 20 0 BCADRM CCO[N-]C(=O)COc1cccc(C=O)c1 ZINC000264907818 386282801 /nfs/dbraw/zinc/28/28/01/386282801.db2.gz QFRYFPASGFOVMI-UHFFFAOYSA-N -1 0 223.228 0.946 20 0 BCADRM 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410421175 /nfs/dbraw/zinc/42/11/75/410421175.db2.gz AKADDTPCWIDVSZ-MRVPVSSYSA-N -1 0 237.259 0.138 20 0 BCADRM C[C@@H](CNC(=O)N[C@@H]1COCC1(C)C)C(=O)[O-] ZINC000312981870 410433651 /nfs/dbraw/zinc/43/36/51/410433651.db2.gz CGMOEDOLSLCXIZ-JGVFFNPUSA-N -1 0 244.291 0.431 20 0 BCADRM Cn1[n-]c(C(=O)NCC(F)(F)F)cc1=O ZINC000665945130 487616732 /nfs/dbraw/zinc/61/67/32/487616732.db2.gz BCTVQPCADUVVCJ-UHFFFAOYSA-N -1 0 223.154 0.418 20 0 BCADRM CCCc1nc(C(=O)NCc2nnn[n-]2)co1 ZINC000680580446 487616739 /nfs/dbraw/zinc/61/67/39/487616739.db2.gz AHPOGONVXKDCBP-UHFFFAOYSA-N -1 0 236.235 0.070 20 0 BCADRM Cc1ccc(-n2[n-]nnc2=NC/C=C/CO)cc1 ZINC000664234000 410523316 /nfs/dbraw/zinc/52/33/16/410523316.db2.gz AACBEDUQYQMEMT-NSCUHMNNSA-N -1 0 245.286 0.353 20 0 BCADRM Cc1ccc(-n2[n-]nnc2=NC/C=C\CO)cc1 ZINC000664233993 410523418 /nfs/dbraw/zinc/52/34/18/410523418.db2.gz AACBEDUQYQMEMT-IHWYPQMZSA-N -1 0 245.286 0.353 20 0 BCADRM CC[C@](C)(CNC(=O)c1[nH]nc(C)c1[O-])OC ZINC000650924758 410579268 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Cc1occc1CNC(=O)N=c1ncn(C)[n-]1 ZINC000653295889 410750262 /nfs/dbraw/zinc/75/02/62/410750262.db2.gz IEJXHVFZTRAGON-UHFFFAOYSA-N -1 0 235.247 0.460 20 0 BCADRM CC(C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000186733254 167063005 /nfs/dbraw/zinc/06/30/05/167063005.db2.gz VZRLCODONDYJMR-UHFFFAOYSA-N -1 0 216.266 0.127 20 0 BCADRM CC(C)NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062119574 167069475 /nfs/dbraw/zinc/06/94/75/167069475.db2.gz XIIMDMMWOAFSAF-ZETCQYMHSA-N -1 0 200.238 0.511 20 0 BCADRM CC(C)NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000062922359 167070973 /nfs/dbraw/zinc/07/09/73/167070973.db2.gz PDGFTUPBVDNXGM-JTQLQIEISA-N -1 0 214.265 0.901 20 0 BCADRM CC(C)OCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000124885488 167180671 /nfs/dbraw/zinc/18/06/71/167180671.db2.gz NDMKRRVIXRNFIE-VIFPVBQESA-N -1 0 245.275 0.114 20 0 BCADRM CC(C)OCC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000162881704 167192059 /nfs/dbraw/zinc/19/20/59/167192059.db2.gz RFVUGNJYBSSTGF-SNVBAGLBSA-N -1 0 247.316 0.488 20 0 BCADRM CC(C)OCCC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000123997607 167194776 /nfs/dbraw/zinc/19/47/76/167194776.db2.gz WABPEKXINDSPBD-VIFPVBQESA-N -1 0 231.292 0.981 20 0 BCADRM CC(C)OCCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000236787315 167196823 /nfs/dbraw/zinc/19/68/23/167196823.db2.gz KXOGDHHZZITEEK-VIFPVBQESA-N -1 0 229.276 0.877 20 0 BCADRM CC(C)OCCC(=O)N[C@H](C)CC(=O)[O-] ZINC000123838607 167200800 /nfs/dbraw/zinc/20/08/00/167200800.db2.gz HXYJGMAMQVSPQP-MRVPVSSYSA-N -1 0 217.265 0.781 20 0 BCADRM CC1=CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000533804937 322928063 /nfs/dbraw/zinc/92/80/63/322928063.db2.gz IZZKCZCIIQYBPZ-UHFFFAOYSA-N -1 0 208.221 0.303 20 0 BCADRM CC(C)O[N-]C(=O)COc1cccnc1 ZINC000295746360 167275643 /nfs/dbraw/zinc/27/56/43/167275643.db2.gz UFJHZZJGRSMGOO-UHFFFAOYSA-N -1 0 210.233 0.917 20 0 BCADRM CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)[O-])C1(C)C ZINC000309373161 167280540 /nfs/dbraw/zinc/28/05/40/167280540.db2.gz QUSMFIHOQCILCO-JGVFFNPUSA-N -1 0 229.276 0.779 20 0 BCADRM C[C@H]1CC[C@H](C(=O)NCc2nnn[n-]2)CC1 ZINC000651307142 410913299 /nfs/dbraw/zinc/91/32/99/410913299.db2.gz GBYPXJAFHQYYCF-ZKCHVHJHSA-N -1 0 223.280 0.642 20 0 BCADRM CC(C)[C@@H](C)CC(=O)NC1(c2nnn[n-]2)CC1 ZINC000357055942 167355372 /nfs/dbraw/zinc/35/53/72/167355372.db2.gz WGDNIRCPZRZNDL-QMMMGPOBSA-N -1 0 237.307 0.987 20 0 BCADRM CC(C)[C@@H](C)NS(=O)(=O)CCCC(=O)[O-] ZINC000034958864 167383532 /nfs/dbraw/zinc/38/35/32/167383532.db2.gz DNSBUMMAFPRQCT-MRVPVSSYSA-N -1 0 237.321 0.815 20 0 BCADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@@H]1CCCO1 ZINC000653314733 410949664 /nfs/dbraw/zinc/94/96/64/410949664.db2.gz BRQLOHTWEBQHHM-HLTSFMKQSA-N -1 0 227.260 0.630 20 0 BCADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@@H]1CCOC1 ZINC000653316050 410949840 /nfs/dbraw/zinc/94/98/40/410949840.db2.gz YOKHYBFJVFZIDL-IWSPIJDZSA-N -1 0 227.260 0.487 20 0 BCADRM CC(C)[C@@H](NC(=O)c1ccn[nH]1)C(=O)[O-] ZINC000037433042 167429080 /nfs/dbraw/zinc/42/90/80/167429080.db2.gz IWODNJNKQDDQMT-SSDOTTSWSA-N -1 0 211.221 0.249 20 0 BCADRM COCCC(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000653315746 410950750 /nfs/dbraw/zinc/95/07/50/410950750.db2.gz QNMLCSKNCGRDDB-YUMQZZPRSA-N -1 0 215.249 0.487 20 0 BCADRM CO[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000668279998 487619710 /nfs/dbraw/zinc/61/97/10/487619710.db2.gz MZIPKORCNPVMRN-RKDXNWHRSA-N -1 0 227.260 0.345 20 0 BCADRM O=C([O-])CC1(NC(=O)c2cocn2)CCC1 ZINC000653321364 410995687 /nfs/dbraw/zinc/99/56/87/410995687.db2.gz MRIACGANWKMODC-UHFFFAOYSA-N -1 0 224.216 0.802 20 0 BCADRM COCc1n[n-]c(=N[C@@H](CO)CCF)s1 ZINC000651463627 411046589 /nfs/dbraw/zinc/04/65/89/411046589.db2.gz XPJNFUGKOZQYLN-ZCFIWIBFSA-N -1 0 235.284 0.239 20 0 BCADRM OC[C@H](CCF)N=c1[n-]c(C2CCC2)no1 ZINC000651463654 411046934 /nfs/dbraw/zinc/04/69/34/411046934.db2.gz YJZBGMNAAKAJTL-QMMMGPOBSA-N -1 0 229.255 0.891 20 0 BCADRM C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2F)C[C@H]1C(=O)[O-] ZINC000399496838 411047190 /nfs/dbraw/zinc/04/71/90/411047190.db2.gz WOLJRPLVZGLCEJ-HGIWHZBTSA-N -1 0 229.251 0.914 20 0 BCADRM CO[C@@H](C(=O)N[C@@H](CC1CC1)C(=O)[O-])C1CC1 ZINC000668281058 487620266 /nfs/dbraw/zinc/62/02/66/487620266.db2.gz LKUPCDKUVPENDX-VHSXEESVSA-N -1 0 241.287 0.781 20 0 BCADRM CC(C)c1cc(C(=O)N[C@@H](C)C(=O)[O-])n(C)n1 ZINC000236714349 167566143 /nfs/dbraw/zinc/56/61/43/167566143.db2.gz LIPHFGXQEXVTKB-ZETCQYMHSA-N -1 0 239.275 0.746 20 0 BCADRM CC[C@@H](CNC(=O)[C@]1(C)CCCO1)C(=O)[O-] ZINC000087229689 487620399 /nfs/dbraw/zinc/62/03/99/487620399.db2.gz IWMJDGNDBPYWLF-KWQFWETISA-N -1 0 229.276 0.783 20 0 BCADRM C[C@@]1(C(=O)NCC2(C(=O)[O-])CC2)C[C@H]1F ZINC000399352545 411034723 /nfs/dbraw/zinc/03/47/23/411034723.db2.gz CEAAIQFAYIEXIC-HZGVNTEJSA-N -1 0 215.224 0.716 20 0 BCADRM O=C([O-])CN(CC1CC1)C(=O)c1cocn1 ZINC000653324785 411130759 /nfs/dbraw/zinc/13/07/59/411130759.db2.gz DNAFUGAQUNJBKT-UHFFFAOYSA-N -1 0 224.216 0.611 20 0 BCADRM CC[C@H](C(=O)[O-])N(C)c1nccc(OC)n1 ZINC000044619565 411138633 /nfs/dbraw/zinc/13/86/33/411138633.db2.gz XFZYTYKYNOSEQX-SSDOTTSWSA-N -1 0 225.248 0.785 20 0 BCADRM C[C@@H](F)CCNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655878316 411152421 /nfs/dbraw/zinc/15/24/21/411152421.db2.gz IBTFYUCKKUDWAB-RNFRBKRXSA-N -1 0 220.244 0.754 20 0 BCADRM C[C@@H](F)CCNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655878315 411152427 /nfs/dbraw/zinc/15/24/27/411152427.db2.gz IBTFYUCKKUDWAB-NKWVEPMBSA-N -1 0 220.244 0.754 20 0 BCADRM C[C@H](CNC(=O)N(C[C@H](C)O)C1CC1)C(=O)[O-] ZINC000655881823 411152765 /nfs/dbraw/zinc/15/27/65/411152765.db2.gz DPDGQGPNQVHQKH-SFYZADRCSA-N -1 0 244.291 0.262 20 0 BCADRM C[C@@H](CF)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655881177 411152808 /nfs/dbraw/zinc/15/28/08/411152808.db2.gz IJBGPLLHUIGZSM-WDSKDSINSA-N -1 0 206.217 0.364 20 0 BCADRM CC[C@]1(O)CCN(C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000655883571 411152900 /nfs/dbraw/zinc/15/29/00/411152900.db2.gz CALHMZVOGQKLPB-KWQFWETISA-N -1 0 244.291 0.264 20 0 BCADRM O=C([O-])[C@H]1C[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000659242597 411153006 /nfs/dbraw/zinc/15/30/06/411153006.db2.gz HJVSYIOLDNUETR-FXQIFTODSA-N -1 0 209.245 0.766 20 0 BCADRM C[C@@H](CNC(=O)N1CC(C2CC2)C1)C(=O)[O-] ZINC000655881349 411153066 /nfs/dbraw/zinc/15/30/66/411153066.db2.gz LGWJDIWGRWGJSM-ZETCQYMHSA-N -1 0 226.276 0.759 20 0 BCADRM C[C@H](CCO)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655885643 411153420 /nfs/dbraw/zinc/15/34/20/411153420.db2.gz SAUUEUWGOWTJFL-SFYZADRCSA-N -1 0 232.280 0.025 20 0 BCADRM C[C@H](CNC(=O)N1CC[C@H](F)C1)C(=O)[O-] ZINC000655882508 411153432 /nfs/dbraw/zinc/15/34/32/411153432.db2.gz YOTVQGONIDKWSB-RQJHMYQMSA-N -1 0 218.228 0.461 20 0 BCADRM C[C@@H](CNC(=O)NCC(C)(C)CCO)C(=O)[O-] ZINC000655885096 411153556 /nfs/dbraw/zinc/15/35/56/411153556.db2.gz MQOQQYNUUHMEMT-QMMMGPOBSA-N -1 0 246.307 0.415 20 0 BCADRM C[C@H](CNC(=O)NCC(C)(C)CCO)C(=O)[O-] ZINC000655885095 411153756 /nfs/dbraw/zinc/15/37/56/411153756.db2.gz MQOQQYNUUHMEMT-MRVPVSSYSA-N -1 0 246.307 0.415 20 0 BCADRM CC(C)[C@@H](CO)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655885551 411154013 /nfs/dbraw/zinc/15/40/13/411154013.db2.gz RCFVAJNAUXLBJZ-JGVFFNPUSA-N -1 0 232.280 0.023 20 0 BCADRM C[C@H](CNC(=O)N[C@@H](C)C[C@H](C)O)C(=O)[O-] ZINC000655890018 411154932 /nfs/dbraw/zinc/15/49/32/411154932.db2.gz XXBWMGMOKPVGAG-CSMHCCOUSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)[C@@H](CNC(=O)NCC(C)(C)O)C(=O)[O-] ZINC000655891608 411155525 /nfs/dbraw/zinc/15/55/25/411155525.db2.gz FVABCEWOGNYUBH-MRVPVSSYSA-N -1 0 246.307 0.413 20 0 BCADRM O=C([O-])C12CC(C1)CN2C(=O)CCn1cccc1 ZINC000659179373 411164545 /nfs/dbraw/zinc/16/45/45/411164545.db2.gz VLQOPCKGROEOGO-UHFFFAOYSA-N -1 0 248.282 0.954 20 0 BCADRM CC(C)CNC(=O)CN(CC(=O)[O-])C1CCC1 ZINC000655935190 411158909 /nfs/dbraw/zinc/15/89/09/411158909.db2.gz BCBIXJMCIGDCTH-UHFFFAOYSA-N -1 0 242.319 0.698 20 0 BCADRM CC(C)(C)NC(=O)CN(CC(=O)[O-])C1CCC1 ZINC000655935832 411158986 /nfs/dbraw/zinc/15/89/86/411158986.db2.gz UHVIISLULQDJQR-UHFFFAOYSA-N -1 0 242.319 0.840 20 0 BCADRM CC[C@H](NC(=O)Cc1ccn(CC)n1)C(=O)[O-] ZINC000652057983 411100645 /nfs/dbraw/zinc/10/06/45/411100645.db2.gz DDFDRIXYDWBHDZ-VIFPVBQESA-N -1 0 239.275 0.425 20 0 BCADRM C[C@@H](NC(=O)C[C@H]1CCCO1)[C@H](C)C(=O)[O-] ZINC000652069348 411106787 /nfs/dbraw/zinc/10/67/87/411106787.db2.gz HYQHBQJBGMMTPK-DJLDLDEBSA-N -1 0 229.276 0.781 20 0 BCADRM O=c1c2c([n-]n1-c1ncnc3[nH]cnc31)CCC2 ZINC000106053223 411116085 /nfs/dbraw/zinc/11/60/85/411116085.db2.gz LXXRDWPVYSQDBX-ZCFIWIBFSA-N -1 0 242.242 0.856 20 0 BCADRM Cc1[n-]n(-c2ncnc3[nH]cnc32)c(=O)c1C ZINC000106053208 411116115 /nfs/dbraw/zinc/11/61/15/411116115.db2.gz RNGPWWSSCRODTL-YFKPBYRVSA-N -1 0 230.231 0.712 20 0 BCADRM COCC(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC000652104266 411119553 /nfs/dbraw/zinc/11/95/53/411119553.db2.gz LEFQQDYMPMXAME-QMMMGPOBSA-N -1 0 245.275 0.161 20 0 BCADRM COC1(C[C@@H](NC(=O)C2CC2)C(=O)[O-])CCC1 ZINC000652103872 411119691 /nfs/dbraw/zinc/11/96/91/411119691.db2.gz AMQMNNBRPVUKJX-SECBINFHSA-N -1 0 241.287 0.925 20 0 BCADRM O=C([O-])c1cncnc1N1CC=CCC1 ZINC000300834438 411127490 /nfs/dbraw/zinc/12/74/90/411127490.db2.gz FSJWIUHRHHPFFU-UHFFFAOYSA-N -1 0 205.217 0.941 20 0 BCADRM COCCCC(=O)N(CC(=O)[O-])C1CCC1 ZINC000655592036 411169486 /nfs/dbraw/zinc/16/94/86/411169486.db2.gz CVPWGRWUVIRLHZ-UHFFFAOYSA-N -1 0 229.276 0.879 20 0 BCADRM Cc1cc(C(=O)N(CC(=O)[O-])C2CCC2)[nH]n1 ZINC000655593725 411169561 /nfs/dbraw/zinc/16/95/61/411169561.db2.gz HYAITTIJAQPUQH-UHFFFAOYSA-N -1 0 237.259 0.797 20 0 BCADRM CCCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655603503 411172720 /nfs/dbraw/zinc/17/27/20/411172720.db2.gz ZBJXCGIZWXHOEF-SNVBAGLBSA-N -1 0 236.271 0.994 20 0 BCADRM C[C@H](CNc1ncnc(N)c1Cl)C(=O)[O-] ZINC000656092011 411173885 /nfs/dbraw/zinc/17/38/85/411173885.db2.gz JAQNBVUIMXSWSW-SCSAIBSYSA-N -1 0 230.655 0.845 20 0 BCADRM C[C@@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)CO1 ZINC000401920832 411175382 /nfs/dbraw/zinc/17/53/82/411175382.db2.gz DYEIMHOASLGRMR-SVRRBLITSA-N -1 0 223.232 0.764 20 0 BCADRM CC(C)(C(=O)[O-])C(=O)N1CCC(CCO)CC1 ZINC000401099082 411177976 /nfs/dbraw/zinc/17/79/76/411177976.db2.gz CAEYMSBGHZITCF-UHFFFAOYSA-N -1 0 243.303 0.718 20 0 BCADRM CC[C@H](NC(=O)CCCCOC)C(=O)[O-] ZINC000123880934 411178592 /nfs/dbraw/zinc/17/85/92/411178592.db2.gz JBPQLNSMBABELL-QMMMGPOBSA-N -1 0 217.265 0.783 20 0 BCADRM COCc1noc(C(=O)[N-]c2cc(C)on2)n1 ZINC000598850606 411244075 /nfs/dbraw/zinc/24/40/75/411244075.db2.gz WVIRWTHUAQUPRB-UHFFFAOYSA-N -1 0 238.203 0.765 20 0 BCADRM CCN(C)C(=O)N[C@@H](CCF)C(=O)[O-] ZINC000656163802 411189658 /nfs/dbraw/zinc/18/96/58/411189658.db2.gz ASOAUSATQBRTPT-LURJTMIESA-N -1 0 206.217 0.461 20 0 BCADRM O=C([O-])[C@H](CCF)NS(=O)(=O)CCCF ZINC000656163275 411189742 /nfs/dbraw/zinc/18/97/42/411189742.db2.gz TXJQCHRBYMDLSD-LURJTMIESA-N -1 0 245.247 0.078 20 0 BCADRM COCC(C)(C)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000310082157 411208675 /nfs/dbraw/zinc/20/86/75/411208675.db2.gz DOJUEEFRMPLZOZ-QMMMGPOBSA-N -1 0 246.307 0.679 20 0 BCADRM O=C(NCc1cccs1)c1n[nH]c(=O)[n-]1 ZINC000048723033 411211849 /nfs/dbraw/zinc/21/18/49/411211849.db2.gz RLKNOCWEFYRUJB-UHFFFAOYSA-N -1 0 224.245 0.090 20 0 BCADRM CC[C@H](OC)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000309700708 411212635 /nfs/dbraw/zinc/21/26/35/411212635.db2.gz SRIKIOPRMBCDBM-VGMNWLOBSA-N -1 0 229.276 0.781 20 0 BCADRM Cn1[n-]nnc1=NC[C@H]1CCC2(CCCC2)O1 ZINC000656228205 411214482 /nfs/dbraw/zinc/21/44/82/411214482.db2.gz SDHJZISRBOEADA-SECBINFHSA-N -1 0 237.307 0.536 20 0 BCADRM COc1ccc(C(=O)NCCOCC(=O)[O-])o1 ZINC000656241013 411217232 /nfs/dbraw/zinc/21/72/32/411217232.db2.gz DYJUYNWVRKNGHX-UHFFFAOYSA-N -1 0 243.215 0.119 20 0 BCADRM CCCC(=O)NCC(=O)N(CC)[C@H](C)C(=O)[O-] ZINC000659770040 411220551 /nfs/dbraw/zinc/22/05/51/411220551.db2.gz DSPPRHXGUUFFGB-MRVPVSSYSA-N -1 0 244.291 0.224 20 0 BCADRM CCN(C(=O)c1nnn(C)c1C)[C@H](C)C(=O)[O-] ZINC000659772750 411225234 /nfs/dbraw/zinc/22/52/34/411225234.db2.gz SCOUQBOXKMKNKW-SSDOTTSWSA-N -1 0 240.263 0.059 20 0 BCADRM CCN(C(=O)c1ccnn1C)[C@@H](C)C(=O)[O-] ZINC000659772809 411225839 /nfs/dbraw/zinc/22/58/39/411225839.db2.gz RSLZBMGXHBPSSR-ZETCQYMHSA-N -1 0 225.248 0.355 20 0 BCADRM CC(C)(C)CCNC(=O)c1n[nH]c(=O)[n-]1 ZINC000049248054 411229335 /nfs/dbraw/zinc/22/93/35/411229335.db2.gz OZRJFIWDZJYQQY-UHFFFAOYSA-N -1 0 212.253 0.264 20 0 BCADRM COCCN(CC(=O)[O-])Cc1cc(C)ccn1 ZINC000652457043 411247477 /nfs/dbraw/zinc/24/74/77/411247477.db2.gz AICHDAAPPWYVAT-UHFFFAOYSA-N -1 0 238.287 0.923 20 0 BCADRM CCOCCC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000054052854 411232297 /nfs/dbraw/zinc/23/22/97/411232297.db2.gz GPMMLJZGHKCJLY-ZETCQYMHSA-N -1 0 203.238 0.345 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCCO1 ZINC000054052836 411232368 /nfs/dbraw/zinc/23/23/68/411232368.db2.gz ZXILUMFIJAEPHP-JGVFFNPUSA-N -1 0 215.249 0.487 20 0 BCADRM C[C@H](C(=O)N(C)[C@@H](C)C(=O)[O-])n1cccn1 ZINC000054051263 411232389 /nfs/dbraw/zinc/23/23/89/411232389.db2.gz LWEDHOGYVDINMO-SFYZADRCSA-N -1 0 225.248 0.376 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)Cc1ccncc1 ZINC000054050911 411232633 /nfs/dbraw/zinc/23/26/33/411232633.db2.gz QMGWTADOYFQSFW-MRVPVSSYSA-N -1 0 222.244 0.556 20 0 BCADRM Cc1noc(C)c1N(C)C[C@](C)(O)C(=O)[O-] ZINC000652416083 411235366 /nfs/dbraw/zinc/23/53/66/411235366.db2.gz DOUWWCBAPQILAT-JTQLQIEISA-N -1 0 228.248 0.563 20 0 BCADRM COCC1(CNC(=O)N[C@H](C)C(=O)[O-])CCC1 ZINC000310466233 411238271 /nfs/dbraw/zinc/23/82/71/411238271.db2.gz ZMYHEJUIRKAISR-MRVPVSSYSA-N -1 0 244.291 0.575 20 0 BCADRM CCC(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000402502810 411239084 /nfs/dbraw/zinc/23/90/84/411239084.db2.gz LWIXNOPXTCECQT-QMMMGPOBSA-N -1 0 211.221 0.072 20 0 BCADRM CN1C[C@@H](Nc2ccc(C(=O)[O-])cn2)CC1=O ZINC000310526245 411240066 /nfs/dbraw/zinc/24/00/66/411240066.db2.gz WYDVUJFAVZAKFK-QMMMGPOBSA-N -1 0 235.243 0.422 20 0 BCADRM CC(C)COCCN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000652510305 411262662 /nfs/dbraw/zinc/26/26/62/411262662.db2.gz XZPKKGWFFFYNSB-GHMZBOCLSA-N -1 0 245.319 0.833 20 0 BCADRM C[C@@H]1CN(c2ccccn2)C[C@H](C(=O)[O-])O1 ZINC000652536289 411266988 /nfs/dbraw/zinc/26/69/88/411266988.db2.gz REYOFTDWLFFPMY-RKDXNWHRSA-N -1 0 222.244 0.760 20 0 BCADRM Cc1cncc(CCNC(=O)[C@H](C)C(=O)[O-])n1 ZINC000659784350 411269115 /nfs/dbraw/zinc/26/91/15/411269115.db2.gz YOPCPCPPMGVBEG-QMMMGPOBSA-N -1 0 237.259 0.164 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)Cc1cccnc1 ZINC000054289854 411270829 /nfs/dbraw/zinc/27/08/29/411270829.db2.gz OYNNKTRSZBYYKS-UHFFFAOYSA-N -1 0 236.271 0.947 20 0 BCADRM CCN(C(=O)C(=O)[O-])[C@@H]1CCCOC1 ZINC000402604057 411272785 /nfs/dbraw/zinc/27/27/85/411272785.db2.gz LYLSXRASNOCFCT-SSDOTTSWSA-N -1 0 201.222 0.099 20 0 BCADRM COC[C@H](CCNC(=O)CCC(=O)[O-])OC ZINC000656484317 411281586 /nfs/dbraw/zinc/28/15/86/411281586.db2.gz PRRLRHFDBAENAC-QMMMGPOBSA-N -1 0 233.264 0.019 20 0 BCADRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)NC[C@@H]1CCCO1 ZINC000656487700 411284165 /nfs/dbraw/zinc/28/41/65/411284165.db2.gz YIWMZEXRQHSHSN-VGMNWLOBSA-N -1 0 245.275 0.160 20 0 BCADRM C[C@@H](O)CN(C)c1ccc(C(=O)[O-])cn1 ZINC000051839731 411284707 /nfs/dbraw/zinc/28/47/07/411284707.db2.gz VEAYDSDNQMINAL-SSDOTTSWSA-N -1 0 210.233 0.597 20 0 BCADRM C[C@@H](Cn1cccn1)Nc1ncc(C(=O)[O-])cn1 ZINC000310795581 411284703 /nfs/dbraw/zinc/28/47/03/411284703.db2.gz RVEVRPOVSATYGI-QMMMGPOBSA-N -1 0 247.258 0.872 20 0 BCADRM C[C@H](O)CN(C)c1ncccc1C(=O)[O-] ZINC000051839732 411285170 /nfs/dbraw/zinc/28/51/70/411285170.db2.gz VARVLTINGOANOY-ZETCQYMHSA-N -1 0 210.233 0.597 20 0 BCADRM CC1(C(=O)[N-]OC/C=C/Cl)COC1 ZINC000291789595 167871648 /nfs/dbraw/zinc/87/16/48/167871648.db2.gz KBUHLHUWQJLHNT-NSCUHMNNSA-N -1 0 205.641 0.823 20 0 BCADRM CCS(=O)(=O)N1CC[C@H](C)[C@@H](CC(=O)[O-])C1 ZINC000656521886 411289273 /nfs/dbraw/zinc/28/92/73/411289273.db2.gz UZCFWYXRCJOZOS-IUCAKERBSA-N -1 0 249.332 0.769 20 0 BCADRM C[C@@H](COCC1CC1)NC(=O)[C@H](C)C(=O)[O-] ZINC000653335440 411329559 /nfs/dbraw/zinc/32/95/59/411329559.db2.gz POBWQKCQKWBLOA-YUMQZZPRSA-N -1 0 229.276 0.638 20 0 BCADRM C[C@H](CNc1ccnc(C2CC2)n1)C(=O)[O-] ZINC000566296621 411295609 /nfs/dbraw/zinc/29/56/09/411295609.db2.gz DZXGDLBBPSKQQZ-SSDOTTSWSA-N -1 0 221.260 1.487 20 0 BCADRM C[C@@H](NC(=O)NC[C@H]1CCC[C@H](C)O1)C(=O)[O-] ZINC000656597583 411305623 /nfs/dbraw/zinc/30/56/23/411305623.db2.gz SUKWDHIOOYHEIW-DJLDLDEBSA-N -1 0 244.291 0.716 20 0 BCADRM CC[C@H](C)CCNC(=O)N[C@H](COC)C(=O)[O-] ZINC000656590109 411305776 /nfs/dbraw/zinc/30/57/76/411305776.db2.gz MGULZCYRPLRPIH-DTWKUNHWSA-N -1 0 246.307 0.821 20 0 BCADRM COC1CC(CCNC(=O)N[C@@H](C)C(=O)[O-])C1 ZINC000656585807 411305943 /nfs/dbraw/zinc/30/59/43/411305943.db2.gz GBQAMBPDPPRWTQ-UEJVZZJDSA-N -1 0 244.291 0.574 20 0 BCADRM COC1CC(CCNC(=O)NCC(=O)[O-])C1 ZINC000656586411 411306094 /nfs/dbraw/zinc/30/60/94/411306094.db2.gz PDKJBRRJPKFHRE-UHFFFAOYSA-N -1 0 230.264 0.185 20 0 BCADRM CCN(C(=O)[C@H](C)C(=O)[O-])[C@@H]1CCCOC1 ZINC000402651804 411306378 /nfs/dbraw/zinc/30/63/78/411306378.db2.gz JUOPUBCTJHOCDB-DTWKUNHWSA-N -1 0 229.276 0.735 20 0 BCADRM C[C@@H](NC(=O)NC[C@@]1(C)CC1(F)F)C(=O)[O-] ZINC000656600472 411306744 /nfs/dbraw/zinc/30/67/44/411306744.db2.gz RYGQTCSTKVLWSV-SVGQVSJJSA-N -1 0 236.218 0.804 20 0 BCADRM Cc1cnn(C)c1NC(=O)NC[C@H](C)C(=O)[O-] ZINC000656604833 411306992 /nfs/dbraw/zinc/30/69/92/411306992.db2.gz LSWFOKXAUMEHMB-ZETCQYMHSA-N -1 0 240.263 0.571 20 0 BCADRM C[C@@H]1C[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000402752111 411312488 /nfs/dbraw/zinc/31/24/88/411312488.db2.gz WIGRMGBOKFWTSS-BKPPORCPSA-N -1 0 237.259 0.318 20 0 BCADRM CCN(CC1CC1)C(=O)NCCC(=O)[O-] ZINC000068947970 169808676 /nfs/dbraw/zinc/80/86/76/169808676.db2.gz RPYLQAARSKIMFI-UHFFFAOYSA-N -1 0 214.265 0.903 20 0 BCADRM Cc1n[nH]c(C(=O)NCCC2(CO)CC2)c1[O-] ZINC000654033031 411320061 /nfs/dbraw/zinc/32/00/61/411320061.db2.gz LTWRDCSKYOPWRR-UHFFFAOYSA-N -1 0 239.275 0.316 20 0 BCADRM C[C@@H]1CN(C(=O)C(C)(C)C(=O)[O-])CCO1 ZINC000214596613 411323811 /nfs/dbraw/zinc/32/38/11/411323811.db2.gz XJKMQTOUCFEUEZ-SSDOTTSWSA-N -1 0 215.249 0.345 20 0 BCADRM CO[C@H]1C[C@H](C(=O)[O-])N(Cc2ccno2)C1 ZINC000652477257 411251581 /nfs/dbraw/zinc/25/15/81/411251581.db2.gz LCHNEHAQYSSKBZ-DTWKUNHWSA-N -1 0 226.232 0.349 20 0 BCADRM 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CC(C)(O)CNC(=O)NCC(C)(C)NC(=O)[O-] ZINC000824034384 587249898 /nfs/dbraw/zinc/24/98/98/587249898.db2.gz CHWKQXSVQNKHLF-UHFFFAOYSA-N -1 0 247.295 0.103 20 0 BCADRM CC(C)(O)CNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000824035719 587250242 /nfs/dbraw/zinc/25/02/42/587250242.db2.gz ZRJQMKXCAXMLLK-JGVFFNPUSA-N -1 0 244.291 0.310 20 0 BCADRM CC(C)(O)CNC(=O)CC1(NC(=O)[O-])CCC1 ZINC000824035708 587250340 /nfs/dbraw/zinc/25/03/40/587250340.db2.gz ZBMHXAWKXGPPLH-UHFFFAOYSA-N -1 0 244.291 0.454 20 0 BCADRM CC(C)(O)CNC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824035709 587250383 /nfs/dbraw/zinc/25/03/83/587250383.db2.gz ZBPRYDWLCQGEBM-MRVPVSSYSA-N -1 0 244.291 0.264 20 0 BCADRM CC(C)C(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000824043799 587251139 /nfs/dbraw/zinc/25/11/39/587251139.db2.gz LQXBGQZIUHQFOK-QMMMGPOBSA-N -1 0 214.265 0.901 20 0 BCADRM CC(C)[C@H](C)CNC(=O)NC1CN(C(=O)[O-])C1 ZINC000824070254 587253206 /nfs/dbraw/zinc/25/32/06/587253206.db2.gz AFSQTPLUHCHTDD-MRVPVSSYSA-N -1 0 243.307 0.940 20 0 BCADRM CC(C)[C@@](C)(O)CNC(=O)[C@@H](C)NC(=O)[O-] ZINC000824064311 587253267 /nfs/dbraw/zinc/25/32/67/587253267.db2.gz KPQCVVRCCRTLTR-XCBNKYQSSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)[C@H](C)NC(=O)C1(NC(=O)[O-])CC1 ZINC000824072420 587253584 /nfs/dbraw/zinc/25/35/84/587253584.db2.gz RUDVNHWZHVEUNV-ZETCQYMHSA-N -1 0 214.265 0.947 20 0 BCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCCCC(N)=O ZINC000824144386 587257580 /nfs/dbraw/zinc/25/75/80/587257580.db2.gz XKCIVWRLCDWUAH-MRVPVSSYSA-N -1 0 246.263 0.087 20 0 BCADRM CC(C)[C@@H](O)CNC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000824144036 587257830 /nfs/dbraw/zinc/25/78/30/587257830.db2.gz RAURASXTMJTTJY-BDAKNGLRSA-N -1 0 244.291 0.262 20 0 BCADRM CC(C)[C@@H](O)CNC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000824143012 587257845 /nfs/dbraw/zinc/25/78/45/587257845.db2.gz IWNFPVLNEFJZRK-IUCAKERBSA-N -1 0 244.291 0.119 20 0 BCADRM CC(C)[C@H](O)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000824144145 587257857 /nfs/dbraw/zinc/25/78/57/587257857.db2.gz SLPILLLZPIEGPV-SSDOTTSWSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)[C@H](O)CNC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000824144039 587257982 /nfs/dbraw/zinc/25/79/82/587257982.db2.gz RAURASXTMJTTJY-RKDXNWHRSA-N -1 0 244.291 0.262 20 0 BCADRM CC(C)[C@H](O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000824142407 587258125 /nfs/dbraw/zinc/25/81/25/587258125.db2.gz FQHUQJQNLBZOTA-BDAKNGLRSA-N -1 0 246.307 0.412 20 0 BCADRM CC(C)[C@H]1CCN(C(=O)CNC(=O)[O-])C1 ZINC000824155683 587258423 /nfs/dbraw/zinc/25/84/23/587258423.db2.gz BYEDGHCANUKFQT-QMMMGPOBSA-N -1 0 214.265 0.759 20 0 BCADRM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)CNC(=O)[O-] ZINC000824163820 587258767 /nfs/dbraw/zinc/25/87/67/587258767.db2.gz AOLINDJDQHLUDY-SCZZXKLOSA-N -1 0 244.291 0.431 20 0 BCADRM CC(C)(CO)CNc1ccc(-c2nn[nH]n2)nn1 ZINC000824162641 587258791 /nfs/dbraw/zinc/25/87/91/587258791.db2.gz KPJQGVMOBBNRRD-UHFFFAOYSA-N -1 0 249.278 0.087 20 0 BCADRM CC(C)CC(=O)COC(=O)CN(C)C(=O)[O-] ZINC000824164077 587258835 /nfs/dbraw/zinc/25/88/35/587258835.db2.gz FNNCHBDASPQDOQ-UHFFFAOYSA-N -1 0 231.248 0.755 20 0 BCADRM CC(C)CC(=O)COC(=O)C1(NC(=O)[O-])CC1 ZINC000824165229 587258876 /nfs/dbraw/zinc/25/88/76/587258876.db2.gz USOLNAWTIICHFS-UHFFFAOYSA-N -1 0 243.259 0.945 20 0 BCADRM CC(C)CC(=O)COC(=O)[C@@H](C)NC(=O)[O-] ZINC000824165574 587259122 /nfs/dbraw/zinc/25/91/22/587259122.db2.gz ZPDLNYAHSQDUNO-SSDOTTSWSA-N -1 0 231.248 0.801 20 0 BCADRM CC(C)C[C@@H](CCO)CNC(=O)CNC(=O)[O-] ZINC000824181673 587259668 /nfs/dbraw/zinc/25/96/68/587259668.db2.gz DUMIRPONHHNLFW-SECBINFHSA-N -1 0 246.307 0.415 20 0 BCADRM CC(C)C[C@@H](O)CNC(=O)CCNC(=O)[O-] ZINC000824216998 587260835 /nfs/dbraw/zinc/26/08/35/587260835.db2.gz BJOXWDBPNLYOQH-MRVPVSSYSA-N -1 0 232.280 0.167 20 0 BCADRM CC(C)CC[C@](C)(O)CNC(=O)CNC(=O)[O-] ZINC000824232189 587261880 /nfs/dbraw/zinc/26/18/80/587261880.db2.gz QDPBJBUIORBZEK-NSHDSACASA-N -1 0 246.307 0.557 20 0 BCADRM CC(C)CNC(=O)NCC(C)(C)NC(=O)[O-] ZINC000824263163 587263700 /nfs/dbraw/zinc/26/37/00/587263700.db2.gz OQKVMZFPFAVWEL-UHFFFAOYSA-N -1 0 231.296 0.988 20 0 BCADRM CC(C)CO[C@H]1CCN(C(=O)CNC(=O)[O-])C1 ZINC000824267752 587264064 /nfs/dbraw/zinc/26/40/64/587264064.db2.gz FTZSCDBJKMIEAD-VIFPVBQESA-N -1 0 244.291 0.528 20 0 BCADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NC[C@H](C)O ZINC000824291526 587265126 /nfs/dbraw/zinc/26/51/26/587265126.db2.gz BLWOEUVPHADQKZ-YUMQZZPRSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)OCCn1cccc(-c2nnn[n-]2)c1=O ZINC000824315475 587265912 /nfs/dbraw/zinc/26/59/12/587265912.db2.gz OPIVGJFFHWUTSY-UHFFFAOYSA-N -1 0 249.274 0.453 20 0 BCADRM CC(C)NC(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000824369656 587267713 /nfs/dbraw/zinc/26/77/13/587267713.db2.gz TWLJHCQBGLDNBN-SECBINFHSA-N -1 0 243.307 0.195 20 0 BCADRM CC(C)NC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000824369396 587267882 /nfs/dbraw/zinc/26/78/82/587267882.db2.gz RIOTYYPPFSTGPX-MRVPVSSYSA-N -1 0 246.332 0.997 20 0 BCADRM C[C@H](C1CC1)N(C)c1ccc(-c2nn[nH]n2)nn1 ZINC000824378036 587268094 /nfs/dbraw/zinc/26/80/94/587268094.db2.gz WPCSGWAMHAHXBS-SSDOTTSWSA-N -1 0 245.290 0.891 20 0 BCADRM CC(C)OC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824389402 587268775 /nfs/dbraw/zinc/26/87/75/587268775.db2.gz WSEGXYQTUCGGRW-ZETCQYMHSA-N -1 0 217.221 0.317 20 0 BCADRM CC(C)OC[C@H](O)CN1CCN(C(=O)[O-])CC1 ZINC000824392748 587269197 /nfs/dbraw/zinc/26/91/97/587269197.db2.gz CUNAMRSNIWSGPH-SNVBAGLBSA-N -1 0 246.307 0.068 20 0 BCADRM CC(C)OCC(=O)OC1(C)CN(C(=O)[O-])C1 ZINC000824393343 587269223 /nfs/dbraw/zinc/26/92/23/587269223.db2.gz GZMXLKXXVYXNGI-UHFFFAOYSA-N -1 0 231.248 0.707 20 0 BCADRM CC(C)n1nccc1C(=O)OCCNC(=O)[O-] ZINC000824534645 587274110 /nfs/dbraw/zinc/27/41/10/587274110.db2.gz NVTVBEXJVQDEBA-UHFFFAOYSA-N -1 0 241.247 0.888 20 0 BCADRM C[C@@H](CC(=O)N(C)C[C@@H](O)C1CC1)NC(=O)[O-] ZINC000824550036 587275408 /nfs/dbraw/zinc/27/54/08/587275408.db2.gz DSIZKYZYWQLXRO-IONNQARKSA-N -1 0 244.291 0.262 20 0 BCADRM C[C@H](CC(=O)N(C)[C@H]1CCOC1)NC(=O)[O-] ZINC000824549506 587275449 /nfs/dbraw/zinc/27/54/49/587275449.db2.gz BIFVHWHUDWGIJY-SFYZADRCSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@H](CC(=O)N(C)C1CCOCC1)NC(=O)[O-] ZINC000824553427 587275854 /nfs/dbraw/zinc/27/58/54/587275854.db2.gz ZCBYMAXHZKIGIH-MRVPVSSYSA-N -1 0 244.291 0.670 20 0 BCADRM C[C@H](CC(=O)N1CC[C@@H](CCO)C1)NC(=O)[O-] ZINC000824563947 587276675 /nfs/dbraw/zinc/27/66/75/587276675.db2.gz FIAHCEIHMYJJNH-BDAKNGLRSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@H](CC(=O)N1CCN(C)[C@@H](C)C1)NC(=O)[O-] ZINC000824589358 587278675 /nfs/dbraw/zinc/27/86/75/587278675.db2.gz CABSYHHJUJXWEK-BDAKNGLRSA-N -1 0 243.307 0.195 20 0 BCADRM C[C@@H](CC(=O)N1CCCO[C@H](C)C1)NC(=O)[O-] ZINC000824590492 587278730 /nfs/dbraw/zinc/27/87/30/587278730.db2.gz LHHADOGOZFBQJD-DTWKUNHWSA-N -1 0 244.291 0.670 20 0 BCADRM C[C@H](CC(=O)N[C@@H](C)CCCO)NC(=O)[O-] ZINC000824606286 587278830 /nfs/dbraw/zinc/27/88/30/587278830.db2.gz OUSKESPIZBSYSD-JGVFFNPUSA-N -1 0 232.280 0.310 20 0 BCADRM C[C@H](CC(=O)N1CCS[C@H](C)C1)NC(=O)[O-] ZINC000824598442 587278870 /nfs/dbraw/zinc/27/88/70/587278870.db2.gz DKKVLUHAIGVLJM-HTQZYQBOSA-N -1 0 246.332 0.997 20 0 BCADRM C[C@H](CC(=O)N[C@](C)(CO)C1CC1)NC(=O)[O-] ZINC000824606277 587278945 /nfs/dbraw/zinc/27/89/45/587278945.db2.gz OQSWHNJTABRJGZ-RDDDGLTNSA-N -1 0 244.291 0.310 20 0 BCADRM C[C@@H](CC(=O)N1CCOC[C@@H]1C)NC(=O)[O-] ZINC000824598661 587279097 /nfs/dbraw/zinc/27/90/97/587279097.db2.gz GKRLAHOGJBUDOE-YUMQZZPRSA-N -1 0 230.264 0.280 20 0 BCADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H]1C[C@H]1OC ZINC000824624027 587279912 /nfs/dbraw/zinc/27/99/12/587279912.db2.gz ZARFJNHKNYDHQU-HTQZYQBOSA-N -1 0 245.275 0.411 20 0 BCADRM C[C@H](CC(=O)NC[C@@H]1C[C@@H]1C)NC(=O)[O-] ZINC000824634385 587280200 /nfs/dbraw/zinc/28/02/00/587280200.db2.gz DLNYTFHRHAOIGU-RNJXMRFFSA-N -1 0 214.265 0.805 20 0 BCADRM CC(C)OCCCNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824646824 587280616 /nfs/dbraw/zinc/28/06/16/587280616.db2.gz PPBBIWWUZZOLEO-SECBINFHSA-N -1 0 246.307 0.964 20 0 BCADRM C[C@@H](CC(=O)NCCOCC1CC1)NC(=O)[O-] ZINC000824647222 587280623 /nfs/dbraw/zinc/28/06/23/587280623.db2.gz UCOSRJMXMBMSPF-QMMMGPOBSA-N -1 0 244.291 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BCADRM C[C@H](CCO)NC(=O)CCCN(C)C(=O)[O-] ZINC000824809954 587288700 /nfs/dbraw/zinc/28/87/00/587288700.db2.gz MRTXQQZKLIKFNT-MRVPVSSYSA-N -1 0 232.280 0.264 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@H](O)C1 ZINC000824833443 587289014 /nfs/dbraw/zinc/28/90/14/587289014.db2.gz NTKFBPZABKZAQR-BDAKNGLRSA-N -1 0 244.291 0.216 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCCC1 ZINC000824831960 587289146 /nfs/dbraw/zinc/28/91/46/587289146.db2.gz HTYWEFGSEYPRRS-QMMMGPOBSA-N -1 0 214.265 0.855 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC1 ZINC000824832520 587289220 /nfs/dbraw/zinc/28/92/20/587289220.db2.gz JQEFIWFQNRXURA-SSDOTTSWSA-N -1 0 200.238 0.465 20 0 BCADRM CC(C)[C@@H](O)CNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000824853507 587290202 /nfs/dbraw/zinc/29/02/02/587290202.db2.gz AGRYYQFYPGXAOW-IUCAKERBSA-N -1 0 246.307 0.365 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)NC1CC1 ZINC000824850521 587290366 /nfs/dbraw/zinc/29/03/66/587290366.db2.gz XIADQYNYTFVRRL-ZCFIWIBFSA-N -1 0 200.238 0.511 20 0 BCADRM 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ZINC000827249845 587374260 /nfs/dbraw/zinc/37/42/60/587374260.db2.gz NXWAWMWRHKGBML-BDAKNGLRSA-N -1 0 241.291 0.933 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CCOC(C)(C)C1 ZINC000827263691 587374328 /nfs/dbraw/zinc/37/43/28/587374328.db2.gz SMRYDJFUADYVTC-MRVPVSSYSA-N -1 0 229.276 0.735 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CCOCC1(C)C ZINC000827262831 587374358 /nfs/dbraw/zinc/37/43/58/587374358.db2.gz LZKXAZNUVMFXFH-MRVPVSSYSA-N -1 0 229.276 0.735 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CC[C@]2(CCOC2)C1 ZINC000827258124 587374450 /nfs/dbraw/zinc/37/44/50/587374450.db2.gz WRVQMUHDBDCUJF-SKDRFNHKSA-N -1 0 241.287 0.736 20 0 BCADRM CCNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000827256729 587374497 /nfs/dbraw/zinc/37/44/97/587374497.db2.gz QNUWIYSRZZFOOB-YUMQZZPRSA-N -1 0 229.280 0.742 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@H](CO)C1 ZINC000827258473 587374502 /nfs/dbraw/zinc/37/45/02/587374502.db2.gz ZYJIQJCEZIGDCH-BDAKNGLRSA-N -1 0 229.276 0.328 20 0 BCADRM CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000827271042 587374668 /nfs/dbraw/zinc/37/46/68/587374668.db2.gz FSCVOAXDKQZJFJ-UWVGGRQHSA-N -1 0 244.335 0.800 20 0 BCADRM CCOC(=O)[C@H](C)COC(=O)[C@@H](C)NC(=O)[O-] ZINC000827285421 587375076 /nfs/dbraw/zinc/37/50/76/587375076.db2.gz YJNKKRPMTGSBLS-RNFRBKRXSA-N -1 0 247.247 0.385 20 0 BCADRM CC(C)[C@H](O)CNC(=O)[C@@H](C)CC(=O)[O-] ZINC000827283479 587375123 /nfs/dbraw/zinc/37/51/23/587375123.db2.gz WAWYNJKXUOSENQ-JGVFFNPUSA-N -1 0 217.265 0.230 20 0 BCADRM CCOC(=O)[C@H](C)NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000827284651 587375178 /nfs/dbraw/zinc/37/51/78/587375178.db2.gz QEHRUYQHYHBGMI-RQJHMYQMSA-N -1 0 246.263 0.100 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)NCC1(CCO)CCC1 ZINC000827284081 587375191 /nfs/dbraw/zinc/37/51/91/587375191.db2.gz YABKEFRUOYUYDF-VIFPVBQESA-N -1 0 243.303 0.766 20 0 BCADRM CCOC(=O)[C@@H](C)N(C)C(=O)CCNC(=O)[O-] ZINC000827285323 587375245 /nfs/dbraw/zinc/37/52/45/587375245.db2.gz WMWKWQIVBHMXSY-SSDOTTSWSA-N -1 0 246.263 0.054 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(=O)[nH]c1 ZINC000827295095 587375649 /nfs/dbraw/zinc/37/56/49/587375649.db2.gz CRIIVKGYNNCWHA-ZETCQYMHSA-N -1 0 238.243 0.514 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)NC[C@H]1CCCCO1 ZINC000827293611 587375670 /nfs/dbraw/zinc/37/56/70/587375670.db2.gz ZGPXUSHXCCZNCP-DTWKUNHWSA-N -1 0 229.276 0.783 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000827291752 587375830 /nfs/dbraw/zinc/37/58/30/587375830.db2.gz MQDZYXSZQCDELJ-UTLUCORTSA-N -1 0 243.303 0.765 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NCc1cccn1C ZINC000827297021 587376018 /nfs/dbraw/zinc/37/60/18/587376018.db2.gz WZQFUIAIVUEUQK-MRVPVSSYSA-N -1 0 224.260 0.752 20 0 BCADRM CCOC(=O)CN1CCN(C(=O)[O-])CC1(C)C ZINC000827314018 587376650 /nfs/dbraw/zinc/37/66/50/587376650.db2.gz XTEDSCOKWVXPPL-UHFFFAOYSA-N -1 0 244.291 0.624 20 0 BCADRM CCOC(=O)CN(CCNC(=O)[O-])C1CC1 ZINC000827312576 587376693 /nfs/dbraw/zinc/37/66/93/587376693.db2.gz HNTNPYFRVXZGSB-UHFFFAOYSA-N -1 0 230.264 0.282 20 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BCADRM CCOCCCOC(=O)C1(NC(=O)[O-])CC1 ZINC000827399720 587380059 /nfs/dbraw/zinc/38/00/59/587380059.db2.gz NHGHGQOXUPVHQK-UHFFFAOYSA-N -1 0 231.248 0.756 20 0 BCADRM CCOCCOC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000827404702 587380096 /nfs/dbraw/zinc/38/00/96/587380096.db2.gz HHVJDNCRDHUZAK-JTQLQIEISA-N -1 0 249.238 0.658 20 0 BCADRM CCONC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000827407887 587380190 /nfs/dbraw/zinc/38/01/90/587380190.db2.gz BOAYFSYOFQKSSP-UHFFFAOYSA-N -1 0 230.264 0.882 20 0 BCADRM CCONC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000827408678 587380209 /nfs/dbraw/zinc/38/02/09/587380209.db2.gz JODAOXRQCMVHHY-SFYZADRCSA-N -1 0 245.279 0.673 20 0 BCADRM CCONC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827409345 587380221 /nfs/dbraw/zinc/38/02/21/587380221.db2.gz NKKCIWDHXQHNLY-RNFRBKRXSA-N -1 0 216.237 0.490 20 0 BCADRM CCONC(=O)NCCCN(CC)C(=O)[O-] ZINC000827409823 587380259 /nfs/dbraw/zinc/38/02/59/587380259.db2.gz RVWLANNTDKXBHA-UHFFFAOYSA-N -1 0 233.268 0.627 20 0 BCADRM CCONC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000827408256 587380260 /nfs/dbraw/zinc/38/02/60/587380260.db2.gz GLSNZENKJAIIOJ-LURJTMIESA-N -1 0 204.226 0.300 20 0 BCADRM C[C@@H](CCCO)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000827412599 587380498 /nfs/dbraw/zinc/38/04/98/587380498.db2.gz LVBPTFUZYNIWJR-YUMQZZPRSA-N -1 0 217.265 0.374 20 0 BCADRM C[C@@H](CCO)NC(=O)CCSCC(=O)[O-] ZINC000827417553 587380538 /nfs/dbraw/zinc/38/05/38/587380538.db2.gz MNKBOESNJCPWGY-ZETCQYMHSA-N -1 0 235.305 0.081 20 0 BCADRM C[C@@H](CCO)S[C@@H](C)C(=O)NCC(=O)[O-] ZINC000827417374 587380554 /nfs/dbraw/zinc/38/05/54/587380554.db2.gz GRDPQOLKQGTXQO-BQBZGAKWSA-N -1 0 235.305 0.080 20 0 BCADRM C[C@@H](CCCO)NC(=O)NCCCCC(=O)[O-] ZINC000827412653 587380642 /nfs/dbraw/zinc/38/06/42/587380642.db2.gz OAPUZQYADZKLDK-VIFPVBQESA-N -1 0 246.307 0.702 20 0 BCADRM C[C@@H](CN(C)C(=O)C1CCC(=O)CC1)C(=O)[O-] ZINC000827436895 587380657 /nfs/dbraw/zinc/38/06/57/587380657.db2.gz KWJAXTDODWBKOW-QMMMGPOBSA-N -1 0 241.287 0.925 20 0 BCADRM CCSCC[C@H](C)NC(=O)CNC(=O)[O-] ZINC000827504263 587384359 /nfs/dbraw/zinc/38/43/59/587384359.db2.gz SKPQHUXTILJKGB-ZETCQYMHSA-N -1 0 234.321 0.902 20 0 BCADRM CC[C@@H](O)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827514630 587385226 /nfs/dbraw/zinc/38/52/26/587385226.db2.gz RFFPMUKIZVYYST-AEJSXWLSSA-N -1 0 246.307 0.114 20 0 BCADRM C[C@H](CO)SCCc1cn(CC(=O)[O-])nn1 ZINC000827517072 587385437 /nfs/dbraw/zinc/38/54/37/587385437.db2.gz CLOFTYFABYPURF-SSDOTTSWSA-N -1 0 245.304 0.019 20 0 BCADRM C[C@@H](CO)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000827518219 587385507 /nfs/dbraw/zinc/38/55/07/587385507.db2.gz ZJVVMFGRVGJKJR-ZETCQYMHSA-N -1 0 238.243 0.887 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@@H](OC)C(C)C ZINC000827518419 587385513 /nfs/dbraw/zinc/38/55/13/587385513.db2.gz KFRGLCUOLATGSH-DTWKUNHWSA-N -1 0 246.307 0.820 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@@](C)(O)C1CC1 ZINC000827519802 587385642 /nfs/dbraw/zinc/38/56/42/587385642.db2.gz YBPUPYCLSIHCAC-GZMMTYOYSA-N -1 0 244.291 0.310 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@@H](O)CC(C)C ZINC000827517712 587385716 /nfs/dbraw/zinc/38/57/16/587385716.db2.gz AQSYIYPPSNNITP-IUCAKERBSA-N -1 0 246.307 0.556 20 0 BCADRM C[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827517093 587385740 /nfs/dbraw/zinc/38/57/40/587385740.db2.gz CWCIKNUZOVYFLN-YFKPBYRVSA-N -1 0 244.272 0.949 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H](C)CCCO ZINC000827517902 587385862 /nfs/dbraw/zinc/38/58/62/587385862.db2.gz DTINTMUYMVIAFQ-YUMQZZPRSA-N -1 0 232.280 0.310 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)NCc1ccn(C)c1 ZINC000827524325 587386194 /nfs/dbraw/zinc/38/61/94/587386194.db2.gz GEEQSMMSQFEQJY-VIFPVBQESA-N -1 0 239.275 0.688 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)NCc1ccc[nH]1 ZINC000827525124 587386331 /nfs/dbraw/zinc/38/63/31/587386331.db2.gz XNQQNSFAVWOBQZ-QMMMGPOBSA-N -1 0 225.248 0.677 20 0 BCADRM C[C@H](CS(=O)(=O)N1CCC(C)(C)C1)C(=O)[O-] ZINC000827542602 587386597 /nfs/dbraw/zinc/38/65/97/587386597.db2.gz VEWQKRDZRWUHDC-MRVPVSSYSA-N -1 0 249.332 0.769 20 0 BCADRM C[C@H](CS(=O)(=O)N1CC[C@H](C)[C@H]1C)C(=O)[O-] ZINC000827542958 587386734 /nfs/dbraw/zinc/38/67/34/587386734.db2.gz XGGAWSQXQSNWIB-DJLDLDEBSA-N -1 0 249.332 0.767 20 0 BCADRM C[C@H](CS(=O)(=O)N1C[C@H]2CCC[C@@H]21)C(=O)[O-] ZINC000827541519 587386740 /nfs/dbraw/zinc/38/67/40/587386740.db2.gz NHOTYPHLJVYFOU-HLTSFMKQSA-N -1 0 247.316 0.521 20 0 BCADRM CC[C@H](NC(=O)[O-])C(=O)OC[C@H]1CCOC1 ZINC000827544104 587387065 /nfs/dbraw/zinc/38/70/65/587387065.db2.gz OUGOSZODCBFUPZ-YUMQZZPRSA-N -1 0 231.248 0.612 20 0 BCADRM C[C@H](CS(=O)(=O)NC[C@H]1CC1(C)C)C(=O)[O-] ZINC000827558572 587387908 /nfs/dbraw/zinc/38/79/08/587387908.db2.gz OYIVGUKSDNVKKB-HTQZYQBOSA-N -1 0 249.332 0.673 20 0 BCADRM CCc1cc(C(=O)OC[C@H](C)NC(=O)[O-])n[nH]1 ZINC000827555961 587388003 /nfs/dbraw/zinc/38/80/03/587388003.db2.gz BITQFNVJURMCDD-LURJTMIESA-N -1 0 241.247 0.785 20 0 BCADRM C[C@@H](CS(=O)(=O)NCC1(C)CC1)C(=O)[O-] ZINC000827557757 587388124 /nfs/dbraw/zinc/38/81/24/587388124.db2.gz GSZDMYCZCKJKAQ-ZETCQYMHSA-N -1 0 235.305 0.427 20 0 BCADRM C[C@@H](Cn1ccnc1)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000827597454 587391305 /nfs/dbraw/zinc/39/13/05/587391305.db2.gz SSZORMWMLQTNQO-IUCAKERBSA-N -1 0 239.275 0.499 20 0 BCADRM C[C@H](Cn1cccn1)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000827597035 587391478 /nfs/dbraw/zinc/39/14/78/587391478.db2.gz JRCNFDXOKSIVDZ-DTWKUNHWSA-N -1 0 239.275 0.499 20 0 BCADRM C[C@@H](O)[C@@H](C)SCC(=O)NCCC(=O)[O-] ZINC000827781221 587401997 /nfs/dbraw/zinc/40/19/97/587401997.db2.gz TYZINXUVSVTVCW-RNFRBKRXSA-N -1 0 235.305 0.080 20 0 BCADRM C[C@@H](O)CN(C)C(=O)CCSCC(=O)[O-] ZINC000827796332 587402647 /nfs/dbraw/zinc/40/26/47/587402647.db2.gz RHFIPOIZRJAJDF-SSDOTTSWSA-N -1 0 235.305 0.034 20 0 BCADRM C[C@@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])C1CC1 ZINC000827809706 587403857 /nfs/dbraw/zinc/40/38/57/587403857.db2.gz IFXITHGXJGYUJJ-RQJHMYQMSA-N -1 0 243.259 0.165 20 0 BCADRM C[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cnccn1 ZINC000827816848 587404284 /nfs/dbraw/zinc/40/42/84/587404284.db2.gz 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587464613 /nfs/dbraw/zinc/46/46/13/587464613.db2.gz OUEGDYFUTRQZAC-ZCFIWIBFSA-N -1 0 217.221 0.317 20 0 BCADRM CO[C@@H](C)CCNC(=O)C1(NC(=O)[O-])CC1 ZINC000828824144 587464796 /nfs/dbraw/zinc/46/47/96/587464796.db2.gz PDLXDGCRECERSD-ZETCQYMHSA-N -1 0 230.264 0.328 20 0 BCADRM CO[C@H](C)COC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828824541 587464884 /nfs/dbraw/zinc/46/48/84/587464884.db2.gz RVNVJPBIRGRJFK-KCJUWKMLSA-N -1 0 245.275 0.955 20 0 BCADRM CCC(CC)(NC(=O)CNC(=O)OC)C(=O)[O-] ZINC000828829376 587465149 /nfs/dbraw/zinc/46/51/49/587465149.db2.gz QBAOCWGWHLVUNE-UHFFFAOYSA-N -1 0 246.263 0.102 20 0 BCADRM CO[C@H](CNC(=O)C[C@H](C)NC(=O)[O-])C(C)C ZINC000828844987 587465973 /nfs/dbraw/zinc/46/59/73/587465973.db2.gz YILHMXFGMHXEQG-DTWKUNHWSA-N -1 0 246.307 0.820 20 0 BCADRM CO[C@@H](CNC(=O)CCNC(=O)[O-])C(C)C ZINC000828844983 587466074 /nfs/dbraw/zinc/46/60/74/587466074.db2.gz YHNRSYGWFSIKLW-QMMMGPOBSA-N -1 0 232.280 0.431 20 0 BCADRM CO[C@@H](CNC(=O)CN(C)C(=O)[O-])C(C)(C)C ZINC000828843169 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592224259 /nfs/dbraw/zinc/22/42/59/592224259.db2.gz GUDHVMRNAILGRY-UHFFFAOYSA-N -1 0 241.276 0.276 20 0 BCADRM CCCS(=O)(=O)[N-]c1n[nH]c2c1COCC2 ZINC000886479277 592231042 /nfs/dbraw/zinc/23/10/42/592231042.db2.gz GLRZDBSTOQWRBV-UHFFFAOYSA-N -1 0 245.304 0.634 20 0 BCADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000220290337 592299047 /nfs/dbraw/zinc/29/90/47/592299047.db2.gz KHPCMLDTMPXXRI-MRVPVSSYSA-N -1 0 212.249 0.607 20 0 BCADRM CON(C)S(=O)(=O)c1ccccc1[O-] ZINC000220290322 592299467 /nfs/dbraw/zinc/29/94/67/592299467.db2.gz VRSJISPNKABXPI-UHFFFAOYSA-N -1 0 217.246 0.574 20 0 BCADRM Cc1nc2nc(C)cc(NC[C@H](C)C(=O)[O-])n2n1 ZINC000886912094 592395469 /nfs/dbraw/zinc/39/54/69/592395469.db2.gz LLZIETXHCPCGRA-LURJTMIESA-N -1 0 249.274 0.874 20 0 BCADRM Cc1cccnc1C(=O)NCCNC(=O)[O-] ZINC000139799481 592432489 /nfs/dbraw/zinc/43/24/89/592432489.db2.gz BNVQOJGNBFVQBR-UHFFFAOYSA-N -1 0 223.232 0.387 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)OCCCCO ZINC000222059535 592466192 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NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[O-] ZINC000740344075 602664978 /nfs/dbraw/zinc/66/49/78/602664978.db2.gz VGLBDLSMPQCBTF-UHFFFAOYSA-N -1 0 242.256 0.375 20 0 BCADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)[O-])C1 ZINC000739830093 602669014 /nfs/dbraw/zinc/66/90/14/602669014.db2.gz FKVUTUAIAQEVSA-IUCAKERBSA-N -1 0 244.291 0.528 20 0 BCADRM COCCON=C(N)[C@@H](C)CN(C)C(=O)[O-] ZINC000739832616 602672276 /nfs/dbraw/zinc/67/22/76/602672276.db2.gz BQGHBOVQZPAPRS-ZETCQYMHSA-N -1 0 233.268 0.377 20 0 BCADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCCO1 ZINC000739150421 602721598 /nfs/dbraw/zinc/72/15/98/602721598.db2.gz TUNSWDUVAWSRPF-RKDXNWHRSA-N -1 0 242.275 0.376 20 0 BCADRM CC(C)[C@@H](C)CNC(=O)NCCNC(=O)[O-] ZINC000738767529 603096176 /nfs/dbraw/zinc/09/61/76/603096176.db2.gz PKISBDDHZJABHX-QMMMGPOBSA-N -1 0 231.296 0.845 20 0 BCADRM CN(C(=O)C[C@H]1CCCO1)C(C)(C)C(=O)[O-] ZINC000083522316 599825130 /nfs/dbraw/zinc/82/51/30/599825130.db2.gz IGHWTXZZORQJAV-MRVPVSSYSA-N -1 0 229.276 0.877 20 0 BCADRM 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Cc1n[nH]c(C)c1CC(=O)N(C)CC(=O)[O-] ZINC000037448013 596950088 /nfs/dbraw/zinc/95/00/88/596950088.db2.gz IWNVQAOPSZDQHM-UHFFFAOYSA-N -1 0 225.248 0.112 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@]1(C)CCCO1 ZINC000087229658 596965455 /nfs/dbraw/zinc/96/54/55/596965455.db2.gz VSSDGMFEJDMIOF-XCBNKYQSSA-N -1 0 215.249 0.487 20 0 BCADRM Cc1noc2ncc(C(=O)OCC(=O)[O-])cc12 ZINC000738390330 596983371 /nfs/dbraw/zinc/98/33/71/596983371.db2.gz GTIUWWVWEOCRQU-UHFFFAOYSA-N -1 0 236.183 0.773 20 0 BCADRM O=C([O-])COC(=O)c1noc2c1CCCC2 ZINC000738615335 596983499 /nfs/dbraw/zinc/98/34/99/596983499.db2.gz HBMOUVUQSQRETR-UHFFFAOYSA-N -1 0 225.200 0.795 20 0 BCADRM CN(CCC(=O)[O-])C(=O)N[C@H]1CCCOC1 ZINC000082431625 596994063 /nfs/dbraw/zinc/99/40/63/596994063.db2.gz GZBIQQPUNQWURO-QMMMGPOBSA-N -1 0 230.264 0.282 20 0 BCADRM CN(CCC(=O)[O-])C(=O)NC[C@@]1(C)CCOC1 ZINC000397200772 596995053 /nfs/dbraw/zinc/99/50/53/596995053.db2.gz QBVLVADBULQCCF-LLVKDONJSA-N -1 0 244.291 0.529 20 0 BCADRM CCn1c(C)nnc1CN(C)CCC(=O)[O-] ZINC000697338395 597000817 /nfs/dbraw/zinc/00/08/17/597000817.db2.gz DDXMFLFVFQFXFB-UHFFFAOYSA-N -1 0 226.280 0.513 20 0 BCADRM CCCCn1nnnc1CN(C)CCC(=O)[O-] ZINC000037932842 597002260 /nfs/dbraw/zinc/00/22/60/597002260.db2.gz CLTLMXFBDUMVGH-UHFFFAOYSA-N -1 0 241.295 0.380 20 0 BCADRM CN(CCC(=O)[O-])C(=O)CSCC#N ZINC000037932019 597005677 /nfs/dbraw/zinc/00/56/77/597005677.db2.gz IETCKTRBDVDYNZ-UHFFFAOYSA-N -1 0 216.262 0.176 20 0 BCADRM CN(CCC(=O)[O-])C(=O)CC[C@@H]1CCOC1 ZINC000155996783 597006958 /nfs/dbraw/zinc/00/69/58/597006958.db2.gz SRZLZZCZIQKUEO-SECBINFHSA-N -1 0 229.276 0.736 20 0 BCADRM O=C([O-])CNC(=O)C[C@@H]1C(=O)Nc2ccccc21 ZINC000740483570 597022537 /nfs/dbraw/zinc/02/25/37/597022537.db2.gz SUSCSAKNSDADNQ-QMMMGPOBSA-N -1 0 248.238 0.313 20 0 BCADRM O=C([O-])CNC(=O)[C@@H]1Cc2ccccc2S1 ZINC000037433631 597024381 /nfs/dbraw/zinc/02/43/81/597024381.db2.gz GTOKCHIGLUYPQD-VIFPVBQESA-N -1 0 237.280 0.904 20 0 BCADRM CC(C)[C@H](NC(=O)Nc1ccn(C)n1)C(=O)[O-] 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602478080 /nfs/dbraw/zinc/47/80/80/602478080.db2.gz BULDZCSGKKUEHY-JGVFFNPUSA-N -1 0 231.248 0.755 20 0 BCADRM O=C([O-])N1CCC(C(=O)O[C@H]2CCOC2)CC1 ZINC000738717453 602478113 /nfs/dbraw/zinc/47/81/13/602478113.db2.gz XPHFHJDUCSBTCP-VIFPVBQESA-N -1 0 243.259 0.709 20 0 BCADRM O=C(COCC1CC1)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740382536 602478666 /nfs/dbraw/zinc/47/86/66/602478666.db2.gz RMBUMEYLQQFDGK-VIFPVBQESA-N -1 0 242.275 0.282 20 0 BCADRM COC(C)(C)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739794511 602478734 /nfs/dbraw/zinc/47/87/34/602478734.db2.gz ZDHVBBOGVVSVGJ-SSDOTTSWSA-N -1 0 230.264 0.280 20 0 BCADRM CC[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739227340 602478940 /nfs/dbraw/zinc/47/89/40/602478940.db2.gz SFBCTJFUIOITAY-HTQZYQBOSA-N -1 0 214.265 0.901 20 0 BCADRM Cn1cccc1C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740294652 602479914 /nfs/dbraw/zinc/47/99/14/602479914.db2.gz LTMTVHMHYCQJII-QMMMGPOBSA-N -1 0 237.259 0.507 20 0 BCADRM CCOCCNC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000739488432 602502162 /nfs/dbraw/zinc/50/21/62/602502162.db2.gz OXMUISVEUWPTFA-VIFPVBQESA-N -1 0 244.291 0.672 20 0 BCADRM Cc1ccncc1NC(=O)[C@@H](C)NC(=O)[O-] ZINC000740196583 602505555 /nfs/dbraw/zinc/50/55/55/602505555.db2.gz KBCCNVGYHKVOLB-SSDOTTSWSA-N -1 0 223.232 0.985 20 0 BCADRM CCCc1cc(NC(=O)[C@H](C)NC(=O)[O-])n[nH]1 ZINC000739374935 602510931 /nfs/dbraw/zinc/51/09/31/602510931.db2.gz UCKNYSBAJYLNJW-LURJTMIESA-N -1 0 240.263 0.957 20 0 BCADRM O=C([O-])N(CCNC(=O)NC1CCC1)C1CC1 ZINC000740436707 602546003 /nfs/dbraw/zinc/54/60/03/602546003.db2.gz INLJGFOYZBFQRP-UHFFFAOYSA-N -1 0 241.291 0.981 20 0 BCADRM C[C@H](CNC(=O)[O-])N(C)CC(=O)NCC1CC1 ZINC000738938630 602555289 /nfs/dbraw/zinc/55/52/89/602555289.db2.gz KOXLOCJTZBQQCP-MRVPVSSYSA-N -1 0 243.307 0.101 20 0 BCADRM CC[C@H](C)NC(=O)CN(C)[C@@H](C)CNC(=O)[O-] ZINC000739238667 602558373 /nfs/dbraw/zinc/55/83/73/602558373.db2.gz BASVOTQNJJUIOG-IUCAKERBSA-N -1 0 245.323 0.489 20 0 BCADRM CCCNC(=O)CN(C)[C@H](C)CNC(=O)[O-] ZINC000739366470 602562370 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243.303 0.979 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)NCc1cn(C)cn1 ZINC000908121616 638572379 /nfs/dbraw/zinc/57/23/79/638572379.db2.gz DINLYPHOAQLYDX-QMMMGPOBSA-N -1 0 225.248 0.147 20 0 BCADRM C/C=C/[C@@H](O)C(=O)[N-]OCCCOC ZINC000908182021 638594971 /nfs/dbraw/zinc/59/49/71/638594971.db2.gz JRGPCRJWBKGNAK-RYEJSQLPSA-N -1 0 203.238 0.008 20 0 BCADRM Cc1nccn1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000908187237 638595726 /nfs/dbraw/zinc/59/57/26/638595726.db2.gz PNVLFJWFJUAUPP-JTQLQIEISA-N -1 0 239.275 0.417 20 0 BCADRM Cc1ccn(CC(=O)N[C@H](C(=O)[O-])C(C)C)n1 ZINC000908183407 638595749 /nfs/dbraw/zinc/59/57/49/638595749.db2.gz JWZXOGOVVFLFKA-JTQLQIEISA-N -1 0 239.275 0.417 20 0 BCADRM CCO[C@@H]1[C@H](C)[C@H]1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000908186564 638596495 /nfs/dbraw/zinc/59/64/95/638596495.db2.gz HVRQELPNBROVED-DOLQZWNJSA-N -1 0 243.303 0.883 20 0 BCADRM CC(C)[C@H](NC(=O)C1CC(=O)C1)C(=O)[O-] ZINC000908188395 638598851 /nfs/dbraw/zinc/59/88/51/638598851.db2.gz ZZCVCIWFPVHLPY-QMMMGPOBSA-N -1 0 213.233 0.191 20 0 BCADRM O=C([O-])C1(C(=O)NCC[C@H](O)C2CC2)CCC1 ZINC000908188660 638598956 /nfs/dbraw/zinc/59/89/56/638598956.db2.gz AIDNHVIGKAIAAK-VIFPVBQESA-N -1 0 241.287 0.519 20 0 BCADRM O=C([O-])CCCCC(=O)NCC[C@H](O)C1CC1 ZINC000908189002 638598965 /nfs/dbraw/zinc/59/89/65/638598965.db2.gz DJVQOUQGKLHYBL-JTQLQIEISA-N -1 0 243.303 0.909 20 0 BCADRM O=C([O-])C1(C(=O)NCC[C@H](O)C2CC2)CC1 ZINC000908195592 638599570 /nfs/dbraw/zinc/59/95/70/638599570.db2.gz YOQBYACEAZOJCS-QMMMGPOBSA-N -1 0 227.260 0.128 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NCC[C@@H](O)C1CC1 ZINC000908194785 638599654 /nfs/dbraw/zinc/59/96/54/638599654.db2.gz UADFLEDOQLMOKY-VXNVDRBHSA-N -1 0 229.276 0.374 20 0 BCADRM CCC[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C)C(=O)[O-] ZINC000908210258 638613168 /nfs/dbraw/zinc/61/31/68/638613168.db2.gz NZCGKAUREQCSAL-HRDYMLBCSA-N -1 0 245.275 0.160 20 0 BCADRM CCC[C@H](NC(=O)[C@H]1C[C@]12CCOC2)C(=O)[O-] ZINC000908216407 638616504 /nfs/dbraw/zinc/61/65/04/638616504.db2.gz 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217.265 0.781 20 0 BCADRM CSC1(C(=O)N[C@H](C)CC(=O)[O-])CC1 ZINC000909096401 639142029 /nfs/dbraw/zinc/14/20/29/639142029.db2.gz UWIJAQWNPBCNGC-ZCFIWIBFSA-N -1 0 217.290 0.861 20 0 BCADRM CCn1ccnc1C(=O)N[C@H](C)CC(=O)[O-] ZINC000909095550 639142052 /nfs/dbraw/zinc/14/20/52/639142052.db2.gz NXCLRBLIVPFPIG-SSDOTTSWSA-N -1 0 225.248 0.496 20 0 BCADRM COCCC(C)(C)C(=O)NC[C@H](C)C(=O)[O-] ZINC000909211869 639175156 /nfs/dbraw/zinc/17/51/56/639175156.db2.gz WQIMPKHMSAODJD-QMMMGPOBSA-N -1 0 231.292 0.886 20 0 BCADRM C[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000909095057 639142317 /nfs/dbraw/zinc/14/23/17/639142317.db2.gz KCHDRTXEHRDNPM-IWSPIJDZSA-N -1 0 241.287 0.971 20 0 BCADRM CCc1nocc1C(=O)N[C@@H](CC)C(=O)[O-] ZINC000909120999 639149243 /nfs/dbraw/zinc/14/92/43/639149243.db2.gz JVVLXZMWVDQFGY-QMMMGPOBSA-N -1 0 226.232 0.830 20 0 BCADRM CC[C@@H](NC(=O)[C@@H](O)C1CCC1)C(=O)[O-] ZINC000909120805 639150060 /nfs/dbraw/zinc/15/00/60/639150060.db2.gz DUKVFJVULYVGKH-SFYZADRCSA-N -1 0 215.249 0.127 20 0 BCADRM CC[C@@H](NC(=O)C1CCC(O)CC1)C(=O)[O-] ZINC000909122785 639150535 /nfs/dbraw/zinc/15/05/35/639150535.db2.gz FRDUZRJZZJOWLO-AMDVSUOASA-N -1 0 229.276 0.517 20 0 BCADRM CC[C@@H](NC(=O)COCCCOC)C(=O)[O-] ZINC000909121877 639150673 /nfs/dbraw/zinc/15/06/73/639150673.db2.gz GVWFECUXNWLSCE-MRVPVSSYSA-N -1 0 233.264 0.019 20 0 BCADRM CC[C@H](O)[C@H](C)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000909123481 639150698 /nfs/dbraw/zinc/15/06/98/639150698.db2.gz UCPVDHLCRVGWKI-FXQIFTODSA-N -1 0 217.265 0.373 20 0 BCADRM CC[C@H](NC(=O)C1CCC(O)CC1)C(=O)[O-] ZINC000909122786 639150840 /nfs/dbraw/zinc/15/08/40/639150840.db2.gz FRDUZRJZZJOWLO-HACHORDNSA-N -1 0 229.276 0.517 20 0 BCADRM CC[C@H](NC(=O)COCCCOC)C(=O)[O-] ZINC000909121878 639151336 /nfs/dbraw/zinc/15/13/36/639151336.db2.gz GVWFECUXNWLSCE-QMMMGPOBSA-N -1 0 233.264 0.019 20 0 BCADRM Cc1cccc2c1O[C@H](C(=O)N[C@H](C)C(=O)[O-])C2 ZINC000909129848 639152206 /nfs/dbraw/zinc/15/22/06/639152206.db2.gz BZLHFJWBZNBXFJ-SCZZXKLOSA-N -1 0 249.266 0.888 20 0 BCADRM CC[C@H](NC(=O)[C@H](O)CCSC)C(=O)[O-] ZINC000909123628 639152554 /nfs/dbraw/zinc/15/25/54/639152554.db2.gz YHRSGYDHKPAEBP-NKWVEPMBSA-N -1 0 235.305 0.080 20 0 BCADRM C[C@@H](O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000909125626 639152608 /nfs/dbraw/zinc/15/26/08/639152608.db2.gz HMIQOXKNBGRKNL-SSDOTTSWSA-N -1 0 239.227 0.469 20 0 BCADRM C[C@H](NC(=O)c1ccnn1CC(F)F)C(=O)[O-] ZINC000909130872 639153219 /nfs/dbraw/zinc/15/32/19/639153219.db2.gz FLHFBDGNEBBXQM-YFKPBYRVSA-N -1 0 247.201 0.351 20 0 BCADRM CO[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000909130428 639153226 /nfs/dbraw/zinc/15/32/26/639153226.db2.gz JEWKIRMIFTZWGV-SFYZADRCSA-N -1 0 217.265 0.637 20 0 BCADRM C[C@@H](NC(=O)c1ccnc2c1ncn2C)C(=O)[O-] ZINC000909130092 639153369 /nfs/dbraw/zinc/15/33/69/639153369.db2.gz FMEAWADUJACIMQ-ZCFIWIBFSA-N -1 0 248.242 0.171 20 0 BCADRM C[C@H](NC(=O)C1(C)CCC(=O)CC1)C(=O)[O-] ZINC000909130250 639153639 /nfs/dbraw/zinc/15/36/39/639153639.db2.gz GUZVMMIPHUEXOT-ZETCQYMHSA-N -1 0 227.260 0.725 20 0 BCADRM Cc1ccn(C)c1C(=O)N[C@H](C)C(=O)[O-] ZINC000909130047 639153675 /nfs/dbraw/zinc/15/36/75/639153675.db2.gz DEJFXCKEVWOIGK-SSDOTTSWSA-N -1 0 210.233 0.536 20 0 BCADRM C[C@@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)C(=O)[O-] ZINC000909130825 639153755 /nfs/dbraw/zinc/15/37/55/639153755.db2.gz NTXSJNRORLKIDG-RQJHMYQMSA-N -1 0 237.259 0.104 20 0 BCADRM C[C@@H](NC(=O)c1cccc(CO)c1)C(=O)[O-] ZINC000909130711 639153947 /nfs/dbraw/zinc/15/39/47/639153947.db2.gz UQEQBPXETQWMIW-SSDOTTSWSA-N -1 0 223.228 0.382 20 0 BCADRM COc1ccc(O)cc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000909131284 639154712 /nfs/dbraw/zinc/15/47/12/639154712.db2.gz SBOCATNUFJXVGG-LURJTMIESA-N -1 0 239.227 0.604 20 0 BCADRM CO[C@H](C(=O)N[C@@H](C)C(=O)[O-])C(C)C ZINC000909131798 639154741 /nfs/dbraw/zinc/15/47/41/639154741.db2.gz WWMUTIUTPWAGOI-BQBZGAKWSA-N -1 0 203.238 0.247 20 0 BCADRM C[C@H](NC(=O)c1cn(C(C)(C)C)nn1)C(=O)[O-] ZINC000909132069 639154745 /nfs/dbraw/zinc/15/47/45/639154745.db2.gz ZMURDBRVIAAQGN-LURJTMIESA-N -1 0 240.263 0.236 20 0 BCADRM C[C@H](NC(=O)CCC(C)(C)O)C(=O)[O-] ZINC000909132809 639154759 /nfs/dbraw/zinc/15/47/59/639154759.db2.gz YRBPGPFTZQDPQE-LURJTMIESA-N -1 0 203.238 0.127 20 0 BCADRM Cc1ncc(CC(=O)N[C@@H](C)C(=O)[O-])o1 ZINC000909132804 639154821 /nfs/dbraw/zinc/15/48/21/639154821.db2.gz YIUJAOOWIXFVNM-YFKPBYRVSA-N -1 0 212.205 0.115 20 0 BCADRM C[C@@H](NC(=O)C1(c2ccccn2)CC1)C(=O)[O-] ZINC000909132606 639154858 /nfs/dbraw/zinc/15/48/58/639154858.db2.gz UMLRCPBCVKRQLQ-MRVPVSSYSA-N -1 0 234.255 0.703 20 0 BCADRM C[C@H](NC(=O)[C@H](C)Oc1ccccn1)C(=O)[O-] ZINC000909131831 639154881 /nfs/dbraw/zinc/15/48/81/639154881.db2.gz XIZLVABMTCECJM-YUMQZZPRSA-N -1 0 238.243 0.438 20 0 BCADRM CCn1ccnc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000909132649 639154899 /nfs/dbraw/zinc/15/48/99/639154899.db2.gz WHSXTIGGSYPXAW-LURJTMIESA-N -1 0 211.221 0.106 20 0 BCADRM C[C@@H](O)c1ncc(C(=O)N[C@@H](C)C(=O)[O-])s1 ZINC000909131968 639155021 /nfs/dbraw/zinc/15/50/21/639155021.db2.gz MUJGPHKIHNNKRQ-CRCLSJGQSA-N -1 0 244.272 0.399 20 0 BCADRM C[C@@H](NC(=O)CNc1ccccn1)C(=O)[O-] ZINC000909131272 639155170 /nfs/dbraw/zinc/15/51/70/639155170.db2.gz RQNORRMANRTXDD-SSDOTTSWSA-N -1 0 223.232 0.083 20 0 BCADRM C[C@@H](NC(=O)c1occ2c1CCOC2)C(=O)[O-] ZINC000909132848 639155977 /nfs/dbraw/zinc/15/59/77/639155977.db2.gz ZRDQLKFSVJGQOQ-ZCFIWIBFSA-N -1 0 239.227 0.555 20 0 BCADRM CCC[C@H](OC)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000909150208 639157752 /nfs/dbraw/zinc/15/77/52/639157752.db2.gz TUPDRTBBGQXLFH-BDAKNGLRSA-N -1 0 231.292 0.981 20 0 BCADRM C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)C(=O)[O-] ZINC000909150617 639158006 /nfs/dbraw/zinc/15/80/06/639158006.db2.gz VPHMQIUMUCXTLX-PELKAZGASA-N -1 0 243.303 0.717 20 0 BCADRM CCC(CC)(CO)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000909151105 639158012 /nfs/dbraw/zinc/15/80/12/639158012.db2.gz XWBBFJYILXJVBD-VIFPVBQESA-N -1 0 245.319 0.964 20 0 BCADRM C[C@H](CN(C)C(=O)[C@@H]1C[C@]12CCOC2)C(=O)[O-] ZINC000909144890 639161147 /nfs/dbraw/zinc/16/11/47/639161147.db2.gz CDZKLYMRTOPENU-PTRXPTGYSA-N -1 0 241.287 0.592 20 0 BCADRM C[C@@H](CN(C)C(=O)CCc1cn[nH]c1)C(=O)[O-] ZINC000909149508 639162153 /nfs/dbraw/zinc/16/21/53/639162153.db2.gz RFBRGUFLFRGNJY-QMMMGPOBSA-N -1 0 239.275 0.521 20 0 BCADRM CCn1nnc(C)c1C(=O)N(C)CCC(=O)[O-] ZINC000909175468 639163024 /nfs/dbraw/zinc/16/30/24/639163024.db2.gz RFNYSSMSTVVCGI-UHFFFAOYSA-N -1 0 240.263 0.153 20 0 BCADRM CN(CCC(=O)[O-])C(=O)CNc1ccccn1 ZINC000909165601 639166593 /nfs/dbraw/zinc/16/65/93/639166593.db2.gz DBWYDQFVQDZWIW-UHFFFAOYSA-N -1 0 237.259 0.427 20 0 BCADRM CN(CCC(=O)[O-])C(=O)c1cccc2nccn21 ZINC000909168405 639167606 /nfs/dbraw/zinc/16/76/06/639167606.db2.gz SOPRZRLNRHTJIV-UHFFFAOYSA-N -1 0 247.254 0.881 20 0 BCADRM CN(CCC(=O)[O-])C(=O)C1CCC(O)CC1 ZINC000909169125 639167958 /nfs/dbraw/zinc/16/79/58/639167958.db2.gz WNOTVIXKBJVJTQ-UHFFFAOYSA-N -1 0 229.276 0.471 20 0 BCADRM CN(CCC(=O)[O-])C(=O)c1cccc2n[nH]nc21 ZINC000909167653 639168435 /nfs/dbraw/zinc/16/84/35/639168435.db2.gz 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CC[C@@H](C(=O)[O-])C(=O)NCc1cc(C)nn1C ZINC000911372612 639628519 /nfs/dbraw/zinc/62/85/19/639628519.db2.gz LLNOGDXFLOZICO-SECBINFHSA-N -1 0 239.275 0.456 20 0 BCADRM O=C([O-])c1coc(C(=O)NCC2(CO)CC2)c1 ZINC000911372326 639628924 /nfs/dbraw/zinc/62/89/24/639628924.db2.gz TWOOOLQIRQWJIC-UHFFFAOYSA-N -1 0 239.227 0.480 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)NCC1(CO)CCC1 ZINC000911372759 639629009 /nfs/dbraw/zinc/62/90/09/639629009.db2.gz ZHETZSXIHOOPHT-MRVPVSSYSA-N -1 0 229.276 0.376 20 0 BCADRM CCOCCN(C)C(=O)CCSCC(=O)[O-] ZINC000911416054 639629784 /nfs/dbraw/zinc/62/97/84/639629784.db2.gz DUZLXUDBUITQMZ-UHFFFAOYSA-N -1 0 249.332 0.689 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)NC[C@@](C)(O)C1CC1 ZINC000911376084 639629910 /nfs/dbraw/zinc/62/99/10/639629910.db2.gz SAJKRNTZVQHOMP-LDYMZIIASA-N -1 0 229.276 0.374 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)NCCc1ncc[nH]1 ZINC000911376753 639629916 /nfs/dbraw/zinc/62/99/16/639629916.db2.gz JPEWYDQMVOPMSU-ZETCQYMHSA-N -1 0 225.248 0.179 20 0 BCADRM CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000911376956 639630303 /nfs/dbraw/zinc/63/03/03/639630303.db2.gz YVBKKRLWRIIMQU-JXUBOQSCSA-N -1 0 243.303 0.620 20 0 BCADRM C[C@@H](CCO)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000911415576 639630371 /nfs/dbraw/zinc/63/03/71/639630371.db2.gz BKLHUUIIMBJJTG-ZETCQYMHSA-N -1 0 238.243 0.281 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)N(C)CC1(CO)CC1 ZINC000911374340 639630384 /nfs/dbraw/zinc/63/03/84/639630384.db2.gz QEKOFFMKYXRJLA-MRVPVSSYSA-N -1 0 229.276 0.328 20 0 BCADRM C[C@@H](CCO)NC(=O)c1ccoc1CC(=O)[O-] ZINC000911416672 639630646 /nfs/dbraw/zinc/63/06/46/639630646.db2.gz QVTTXDUZWBJLFK-ZETCQYMHSA-N -1 0 241.243 0.407 20 0 BCADRM CN(CC1(CO)CC1)C(=O)CCCCC(=O)[O-] ZINC000911373787 639630882 /nfs/dbraw/zinc/63/08/82/639630882.db2.gz JYVLSIXEKROSMA-UHFFFAOYSA-N -1 0 243.303 0.862 20 0 BCADRM C[C@H](CCO)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000911415575 639630935 /nfs/dbraw/zinc/63/09/35/639630935.db2.gz BKLHUUIIMBJJTG-SSDOTTSWSA-N -1 0 238.243 0.281 20 0 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SSJFTYBSGAGCRC-MRVPVSSYSA-N -1 0 239.279 0.104 20 0 BCADRM CN(C(=O)CCCn1cccc1)c1nnn[n-]1 ZINC000912618380 640131068 /nfs/dbraw/zinc/13/10/68/640131068.db2.gz ROOUEPBPRUQKMI-UHFFFAOYSA-N -1 0 234.263 0.444 20 0 BCADRM C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(C)c1nnn[n-]1 ZINC000912616298 640139345 /nfs/dbraw/zinc/13/93/45/640139345.db2.gz AMKFQEMITFKLJY-NKWVEPMBSA-N -1 0 237.263 0.168 20 0 BCADRM C/C=C\[C@@H](O)C(=O)[N-]OCc1cccc(C)n1 ZINC000912629193 640144076 /nfs/dbraw/zinc/14/40/76/640144076.db2.gz NOCOWMDBSLENNP-USEMIUTHSA-N -1 0 236.271 0.875 20 0 BCADRM Cc1cccc(CO[N-]C(=O)[C@@H](O)C2CC2)n1 ZINC000912629509 640144697 /nfs/dbraw/zinc/14/46/97/640144697.db2.gz UMUKQQXNDWZCLE-NSHDSACASA-N -1 0 236.271 0.709 20 0 BCADRM C/C=C\[C@H](O)C(=O)[N-]OCc1cccc(C)n1 ZINC000912629191 640145061 /nfs/dbraw/zinc/14/50/61/640145061.db2.gz NOCOWMDBSLENNP-MZBZXASESA-N -1 0 236.271 0.875 20 0 BCADRM Cc1nc2c(c(=O)[nH]1)CN(Cc1cncn1C)C2 ZINC000931318356 640154734 /nfs/dbraw/zinc/15/47/34/640154734.db2.gz NLDKGTVTSWWMAE-UHFFFAOYSA-N -1 0 245.286 0.740 20 0 BCADRM CN1C(=O)CCC[C@H]1C(=O)[N-]OCC1CCC1 ZINC000912724465 640178873 /nfs/dbraw/zinc/17/88/73/640178873.db2.gz HQHRXAPKDVLDMO-JTQLQIEISA-N -1 0 240.303 0.845 20 0 BCADRM O=C([O-])CCCC(=O)N[C@@H]1CCC[C@H]1O ZINC000323767447 640203044 /nfs/dbraw/zinc/20/30/44/640203044.db2.gz YTHNGKBPPPWTHP-HTQZYQBOSA-N -1 0 215.249 0.271 20 0 BCADRM CCn1ccnc1CN(C)CCC(=O)[O-] ZINC000054743781 640402898 /nfs/dbraw/zinc/40/28/98/640402898.db2.gz UVQCFXNVAQAFKX-UHFFFAOYSA-N -1 0 211.265 0.810 20 0 BCADRM CCCC(=O)N1CCC[C@@H](C(=O)NOC)C1 ZINC000054830780 640416486 /nfs/dbraw/zinc/41/64/86/640416486.db2.gz GNFPDEDNRXSJAF-SECBINFHSA-N -1 0 228.292 0.703 20 0 BCADRM CO[C@H](C)C(=O)Nc1ncccc1C(=O)[O-] ZINC000163786346 640418432 /nfs/dbraw/zinc/41/84/32/640418432.db2.gz CEMXVTQHYPXWMP-ZCFIWIBFSA-N -1 0 224.216 0.753 20 0 BCADRM O=C([O-])COCC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000044676728 640451898 /nfs/dbraw/zinc/45/18/98/640451898.db2.gz MVBDPBNEZRZPNA-WDEREUQCSA-N -1 0 249.266 0.760 20 0 BCADRM CC(C)[C@H](O)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000222149647 640457046 /nfs/dbraw/zinc/45/70/46/640457046.db2.gz UFXIICGZRZEVEU-SFYZADRCSA-N -1 0 215.249 0.079 20 0 BCADRM O=c1cc(C2CC2)[n-]n1-c1cnccn1 ZINC000156554867 640465710 /nfs/dbraw/zinc/46/57/10/640465710.db2.gz FKDBIFQGLBBUFF-UHFFFAOYSA-N -1 0 202.217 0.979 20 0 BCADRM CC(C)(C)OCCNC(=O)NCC(=O)[O-] ZINC000164370287 640473122 /nfs/dbraw/zinc/47/31/22/640473122.db2.gz UDKHMGCHNSKHET-UHFFFAOYSA-N -1 0 218.253 0.185 20 0 BCADRM C[C@@H](O)C[C@@H](C)NC(=O)CCCCC(=O)[O-] ZINC000164441525 640484030 /nfs/dbraw/zinc/48/40/30/640484030.db2.gz WTYVFQOCSPYIBL-RKDXNWHRSA-N -1 0 231.292 0.907 20 0 BCADRM CC(C)CCOCCNC(=O)N[C@H](C)C(=O)[O-] ZINC000045111022 640501488 /nfs/dbraw/zinc/50/14/88/640501488.db2.gz CFWAUUIUROGASR-SECBINFHSA-N -1 0 246.307 0.821 20 0 BCADRM C[C@H](NC(=O)[C@@H]1CCSC1)[C@H](C)C(=O)[O-] ZINC000164816993 640506673 /nfs/dbraw/zinc/50/66/73/640506673.db2.gz DSBCGSFRDAUFQO-BIIVOSGPSA-N -1 0 231.317 0.965 20 0 BCADRM C[C@@H](NC(=O)c1ccn[nH]1)[C@@H](C)C(=O)[O-] ZINC000164815925 640506981 /nfs/dbraw/zinc/50/69/81/640506981.db2.gz VYNAFXOLKRXVLG-PHDIDXHHSA-N -1 0 211.221 0.249 20 0 BCADRM C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000164815698 640507037 /nfs/dbraw/zinc/50/70/37/640507037.db2.gz FWVIFEXDZSKKSD-IONNQARKSA-N -1 0 231.317 0.889 20 0 BCADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@@H]1CCO[C@@H]1C ZINC000164852176 640510515 /nfs/dbraw/zinc/51/05/15/640510515.db2.gz JPGTXSZERRCMGI-BZNPZCIMSA-N -1 0 229.276 0.637 20 0 BCADRM CNC(=O)N[N-]C(=O)c1noc2c1CCCC2 ZINC000056375996 640536257 /nfs/dbraw/zinc/53/62/57/640536257.db2.gz NBLVOVZZNZFVGP-UHFFFAOYSA-N -1 0 238.247 0.127 20 0 BCADRM CCN(CCCO)c1ccc(C(=O)[O-])cn1 ZINC000165193034 640546012 /nfs/dbraw/zinc/54/60/12/640546012.db2.gz RSECQAGWNWKWPE-UHFFFAOYSA-N -1 0 224.260 0.989 20 0 BCADRM O=C([O-])C1CCN(C(=O)O[C@@H]2CCOC2)CC1 ZINC000223600926 640580868 /nfs/dbraw/zinc/58/08/68/640580868.db2.gz HGQJBQXGDYXORD-SECBINFHSA-N -1 0 243.259 0.709 20 0 BCADRM CCNC(=O)NC1(C(=O)[N-]OC)CCCC1 ZINC000057307037 640599663 /nfs/dbraw/zinc/59/96/63/640599663.db2.gz WUPKEVLFKXFFDX-UHFFFAOYSA-N -1 0 229.280 0.296 20 0 BCADRM C[C@@]1(O)CCCN(C(=O)CCCC(=O)[O-])C1 ZINC000157372010 640668560 /nfs/dbraw/zinc/66/85/60/640668560.db2.gz AZUMBIWVBGWBCT-LLVKDONJSA-N -1 0 229.276 0.615 20 0 BCADRM C[C@@H]1C[C@H](C)CN1C(=O)COCC(=O)[O-] ZINC000157659125 640699180 /nfs/dbraw/zinc/69/91/80/640699180.db2.gz ZCPFHJXETQYRSX-JGVFFNPUSA-N -1 0 215.249 0.345 20 0 BCADRM C[C@@H]1C[C@H](C)N(C(=O)COCC(=O)[O-])C1 ZINC000157658697 640700040 /nfs/dbraw/zinc/70/00/40/640700040.db2.gz ZCPFHJXETQYRSX-SFYZADRCSA-N -1 0 215.249 0.345 20 0 BCADRM CC1(C)[C@H](NC(=O)CCCC(=O)[O-])C[C@@H]1O ZINC000168154345 640789510 /nfs/dbraw/zinc/78/95/10/640789510.db2.gz YONGKDYDVSCBCL-SFYZADRCSA-N -1 0 229.276 0.517 20 0 BCADRM C[C@@H]1CCN(S(=O)(=O)C(F)F)[C@@H]1C(=O)[O-] ZINC000226878089 640802860 /nfs/dbraw/zinc/80/28/60/640802860.db2.gz SFYPNNXKJZKTEK-UHNVWZDZSA-N -1 0 243.231 0.334 20 0 BCADRM C[C@H]1OCC[C@@H]1C(=O)NCC1(C(=O)[O-])CC1 ZINC000168561848 640813772 /nfs/dbraw/zinc/81/37/72/640813772.db2.gz BPVVRQRHUVDLGO-SFYZADRCSA-N -1 0 227.260 0.392 20 0 BCADRM O=C([O-])CCCC(=O)N1CCC[C@H](CCO)C1 ZINC000227233286 640821291 /nfs/dbraw/zinc/82/12/91/640821291.db2.gz QCIIKNZPWMQNKY-SNVBAGLBSA-N -1 0 243.303 0.862 20 0 BCADRM C[C@H](NC(=O)NC[C@H]1CC1(C)C)C(=O)[O-] ZINC000227403132 640830457 /nfs/dbraw/zinc/83/04/57/640830457.db2.gz MABODPVGGJAYGW-NKWVEPMBSA-N -1 0 214.265 0.805 20 0 BCADRM CC[C@@H]1C[C@H]1NC(=O)N(CC)CC(=O)[O-] ZINC000227407189 640833007 /nfs/dbraw/zinc/83/30/07/640833007.db2.gz HEOSAXGGWUNSFS-HTQZYQBOSA-N -1 0 214.265 0.901 20 0 BCADRM CCC[C@@H](CCO)CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000227410264 640833059 /nfs/dbraw/zinc/83/30/59/640833059.db2.gz RSOWFLHAACIKOY-AEJSXWLSSA-N -1 0 243.303 0.622 20 0 BCADRM CC[C@H](NC(=O)N[C@@H]1C[C@H]1CC)C(=O)[O-] ZINC000227406281 640833189 /nfs/dbraw/zinc/83/31/89/640833189.db2.gz WUNWPIWUZANCPQ-GJMOJQLCSA-N -1 0 214.265 0.947 20 0 BCADRM CS[C@H]1CC[C@@H](NC(=O)N(C)CC(=O)[O-])C1 ZINC000227429342 640834193 /nfs/dbraw/zinc/83/41/93/640834193.db2.gz VLXRXIGSZHKAAR-SFYZADRCSA-N -1 0 246.332 0.997 20 0 BCADRM CS[C@@H]1CC[C@H](NC(=O)N(C)CC(=O)[O-])C1 ZINC000227429352 640834374 /nfs/dbraw/zinc/83/43/74/640834374.db2.gz VLXRXIGSZHKAAR-JGVFFNPUSA-N -1 0 246.332 0.997 20 0 BCADRM O=C([O-])C1(C(=O)N2CCC[C@H](CCO)C2)CC1 ZINC000227427555 640834448 /nfs/dbraw/zinc/83/44/48/640834448.db2.gz RMNBSQOPKMIBSL-SECBINFHSA-N -1 0 241.287 0.472 20 0 BCADRM C[C@H](NC(=O)N(C)CC(=O)[O-])c1cn[nH]c1 ZINC000227479243 640835155 /nfs/dbraw/zinc/83/51/55/640835155.db2.gz PLLIULRFENMQMB-LURJTMIESA-N -1 0 226.236 0.197 20 0 BCADRM C[C@@H](NC(=O)N[C@@H]1CCO[C@H](C)C1)C(=O)[O-] ZINC000227485093 640835178 /nfs/dbraw/zinc/83/51/78/640835178.db2.gz JODSKVBDIKIXML-BWZBUEFSSA-N -1 0 230.264 0.326 20 0 BCADRM COC1(CNC(=O)C2(C(=O)[O-])CC2)CCC1 ZINC000227688301 640845319 /nfs/dbraw/zinc/84/53/19/640845319.db2.gz QGQHYCVXUWLHPV-UHFFFAOYSA-N -1 0 227.260 0.537 20 0 BCADRM COC[C@@H](CCO)NC(=O)CCCCC(=O)[O-] ZINC000228211381 640866946 /nfs/dbraw/zinc/86/69/46/640866946.db2.gz LXDQBLWCGHWVQY-SECBINFHSA-N -1 0 247.291 0.145 20 0 BCADRM COC[C@@H](CCO)Nc1cccc(C(=O)[O-])n1 ZINC000228417105 640873646 /nfs/dbraw/zinc/87/36/46/640873646.db2.gz SLMRTPIJNYHXTF-MRVPVSSYSA-N -1 0 240.259 0.589 20 0 BCADRM C[C@@H](NC(=O)c1ccc2c(c1)NCC2)C(=O)[O-] ZINC000228556474 640882071 /nfs/dbraw/zinc/88/20/71/640882071.db2.gz ZSLKQVUZVNLUMY-SSDOTTSWSA-N -1 0 234.255 0.858 20 0 BCADRM O=C(NCc1ccccc1)c1cc(=O)[nH][n-]1 ZINC000169919616 640884155 /nfs/dbraw/zinc/88/41/55/640884155.db2.gz DYAYHTPXAPALMU-UHFFFAOYSA-N -1 0 217.228 0.179 20 0 BCADRM CC1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000169919575 640884275 /nfs/dbraw/zinc/88/42/75/640884275.db2.gz YRZNJMUHVFSXOY-UHFFFAOYSA-N -1 0 209.249 0.121 20 0 BCADRM CN(C)C(=O)c1ccc(SCC(=O)[O-])nc1 ZINC000087415094 640887305 /nfs/dbraw/zinc/88/73/05/640887305.db2.gz ORPZAMHLHRCRBL-UHFFFAOYSA-N -1 0 240.284 0.960 20 0 BCADRM CC[C@H](CNC(=O)C[C@@H](C)COC)C(=O)[O-] ZINC000087420674 640888484 /nfs/dbraw/zinc/88/84/84/640888484.db2.gz CVMNDUMNEPPCCP-RKDXNWHRSA-N -1 0 231.292 0.886 20 0 BCADRM CCN(CCO)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000111472824 640913373 /nfs/dbraw/zinc/91/33/73/640913373.db2.gz AUKOCEPIMDJIGA-ZJUUUORDSA-N -1 0 243.303 0.718 20 0 BCADRM COC[C@@H](CO)Nc1ccc(C(=O)[O-])c(C)n1 ZINC000229168757 640928941 /nfs/dbraw/zinc/92/89/41/640928941.db2.gz FXYOFLSQSSGDAW-MRVPVSSYSA-N -1 0 240.259 0.507 20 0 BCADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccnnc1 ZINC000229162106 640929052 /nfs/dbraw/zinc/92/90/52/640929052.db2.gz AEOLCHIYJMWBRL-LLVKDONJSA-N -1 0 235.243 0.556 20 0 BCADRM CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)C(F)F ZINC000061217022 640941024 /nfs/dbraw/zinc/94/10/24/640941024.db2.gz RVIPWZODRNUXHI-RXMQYKEDSA-N -1 0 245.247 0.581 20 0 BCADRM C[C@H](CC(=O)[O-])CC(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000229369220 640949548 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O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCCCO)C1 ZINC000383521602 710982718 /nfs/dbraw/zinc/98/27/18/710982718.db2.gz NSICQLDLMMTOSW-ZJUUUORDSA-N -1 0 243.303 0.766 20 0 BCADRM CC(C)[C@@H](CNc1ccnc(C#N)n1)C(=O)[O-] ZINC000384023323 710987491 /nfs/dbraw/zinc/98/74/91/710987491.db2.gz RLBXZCIOSZLPHK-MRVPVSSYSA-N -1 0 234.259 0.539 20 0 BCADRM C[C@@H]1C[C@H](O)CN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000384873525 710998142 /nfs/dbraw/zinc/99/81/42/710998142.db2.gz XMFBUIVBOFKJCR-KCJUWKMLSA-N -1 0 249.266 0.980 20 0 BCADRM C[C@@H]1CN(c2cc(C(=O)[O-])ncn2)CCO1 ZINC000380616092 712902127 /nfs/dbraw/zinc/90/21/27/712902127.db2.gz ZKQJSLYYVZOVNT-SSDOTTSWSA-N -1 0 223.232 0.400 20 0 BCADRM Cn1ncc(CNCc2ccccc2C(=O)[O-])n1 ZINC000386260330 711026553 /nfs/dbraw/zinc/02/65/53/711026553.db2.gz UYXATQKSNDCPOL-UHFFFAOYSA-N -1 0 246.270 0.803 20 0 BCADRM CC[C@@H](CNc1ccnc(C#N)n1)C(=O)[O-] ZINC000380735173 712902692 /nfs/dbraw/zinc/90/26/92/712902692.db2.gz QYDNRUOGNKNYPG-ZETCQYMHSA-N -1 0 220.232 0.293 20 0 BCADRM CC[C@H](NC(=O)CCCC(=O)[O-])[C@H](C)O ZINC000386863030 711038076 /nfs/dbraw/zinc/03/80/76/711038076.db2.gz FTPJVUALXRPFAU-YUMQZZPRSA-N -1 0 217.265 0.517 20 0 BCADRM CC[C@@H](NC(=O)CCCC(=O)[O-])[C@H](C)O ZINC000386863009 711038088 /nfs/dbraw/zinc/03/80/88/711038088.db2.gz FTPJVUALXRPFAU-JGVFFNPUSA-N -1 0 217.265 0.517 20 0 BCADRM CC[C@@H](NC(=O)CCCCC(=O)[O-])[C@@H](C)O ZINC000386952837 711039107 /nfs/dbraw/zinc/03/91/07/711039107.db2.gz XBFNAHRVDCPECW-RKDXNWHRSA-N -1 0 231.292 0.907 20 0 BCADRM Cc1nc(N2C[C@H](O)[C@@H](C)C2)ccc1C(=O)[O-] ZINC000387713520 711046761 /nfs/dbraw/zinc/04/67/61/711046761.db2.gz OWKXVCYHFASHEL-XVKPBYJWSA-N -1 0 236.271 0.905 20 0 BCADRM CC1(C)CN(C(=O)C2(C(=O)[O-])CC2)C[C@H]1O ZINC000387805693 711047182 /nfs/dbraw/zinc/04/71/82/711047182.db2.gz QVAWIFIUGADPDA-SSDOTTSWSA-N -1 0 227.260 0.081 20 0 BCADRM CCCCSCC(=O)[N-]S(C)(=O)=O ZINC000388714588 711066798 /nfs/dbraw/zinc/06/67/98/711066798.db2.gz QKTPCYBBSSZOTN-UHFFFAOYSA-N -1 0 225.335 0.596 20 0 BCADRM CC[C@H]1CCC[C@H]1NC(=O)COCC(=O)[O-] ZINC000388759647 711067164 /nfs/dbraw/zinc/06/71/64/711067164.db2.gz DLZGGNBHJXFEIF-DTWKUNHWSA-N -1 0 229.276 0.783 20 0 BCADRM CSC1(CN2CCOC[C@H]2C(=O)[O-])CC1 ZINC000389370773 711077763 /nfs/dbraw/zinc/07/77/63/711077763.db2.gz YQNNZKSNKYIVCQ-QMMMGPOBSA-N -1 0 231.317 0.667 20 0 BCADRM O=C([O-])c1cc(NCc2ccoc2)ncn1 ZINC000390487103 711120541 /nfs/dbraw/zinc/12/05/41/711120541.db2.gz NYSLYVRZMLTROU-UHFFFAOYSA-N -1 0 219.200 0.802 20 0 BCADRM CC(C)[C@H](Nc1ccnc(C#N)n1)C(=O)[O-] ZINC000390671536 711130889 /nfs/dbraw/zinc/13/08/89/711130889.db2.gz SYIRYFBFZJHWKW-VIFPVBQESA-N -1 0 220.232 0.869 20 0 BCADRM CC[C@H](CO)Nc1cc(C(=O)[O-])ncn1 ZINC000393400438 711158774 /nfs/dbraw/zinc/15/87/74/711158774.db2.gz MFXWSRYAQVHKTL-ZCFIWIBFSA-N -1 0 211.221 0.358 20 0 BCADRM CCCS(=O)(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000393450844 711159502 /nfs/dbraw/zinc/15/95/02/711159502.db2.gz TUGIOOALMQQZFN-DTWKUNHWSA-N -1 0 249.332 0.959 20 0 BCADRM 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BCADRM CC[C@@H](NC(=O)N[C@H]1COC(C)(C)C1)C(=O)[O-] ZINC000396464192 711221098 /nfs/dbraw/zinc/22/10/98/711221098.db2.gz FLEQZQCIPIWPKE-HTQZYQBOSA-N -1 0 244.291 0.716 20 0 BCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccncn2)C1 ZINC000396438870 711221187 /nfs/dbraw/zinc/22/11/87/711221187.db2.gz JIXLFONPUUIVMK-GFCCVEGCSA-N -1 0 249.270 0.804 20 0 BCADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)nn1 ZINC000396440340 711221455 /nfs/dbraw/zinc/22/14/55/711221455.db2.gz KXSKZOWUTVZCCJ-SNVBAGLBSA-N -1 0 249.270 0.768 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1COC(C)(C)C1 ZINC000396490377 711222939 /nfs/dbraw/zinc/22/29/39/711222939.db2.gz KQQOKCKQPMAKNN-HTQZYQBOSA-N -1 0 244.291 0.668 20 0 BCADRM Cc1nccc(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000396536043 711353369 /nfs/dbraw/zinc/35/33/69/711353369.db2.gz XEAVPMGISSOWDA-CBAPKCEASA-N -1 0 249.270 0.578 20 0 BCADRM N#Cc1cnnc(N[C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000396544271 711354180 /nfs/dbraw/zinc/35/41/80/711354180.db2.gz DCQVRXISBMNQBO-BDAKNGLRSA-N 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0.017 20 0 BCADRM CC[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(C)(C)O ZINC000394014870 710838524 /nfs/dbraw/zinc/83/85/24/710838524.db2.gz IGMGQURWYQBVAF-PRJMDXOYSA-N -1 0 229.276 0.373 20 0 BCADRM Cc1ccc(C(=O)NC2(C(=O)[O-])CCC2)nn1 ZINC000396435400 710905256 /nfs/dbraw/zinc/90/52/56/710905256.db2.gz ZZEVZHGFAWSTPN-UHFFFAOYSA-N -1 0 235.243 0.522 20 0 BCADRM CC/C=C/CNC(=O)N[C@@H](C)C(=O)[O-] ZINC000385006431 711002959 /nfs/dbraw/zinc/00/29/59/711002959.db2.gz MSWSBTCMOPZQLV-KPJROHGDSA-N -1 0 200.238 0.725 20 0 BCADRM CC(C)(C)CC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386500693 711030526 /nfs/dbraw/zinc/03/05/26/711030526.db2.gz UKHKWXFEANOURX-NSHDSACASA-N -1 0 229.276 0.471 20 0 BCADRM CC(C)(C)CCC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386509189 711031859 /nfs/dbraw/zinc/03/18/59/711031859.db2.gz DUVAGSYIJMJDAY-LBPRGKRZSA-N -1 0 243.303 0.861 20 0 BCADRM Cn1ncc(CNCc2ccc(C(=O)[O-])cc2)n1 ZINC000389816684 711091465 /nfs/dbraw/zinc/09/14/65/711091465.db2.gz RCKPKAJCSIFGFK-UHFFFAOYSA-N -1 0 246.270 0.803 20 0 BCADRM Cn1ncc(CNc2ncc(C(=O)[O-])s2)n1 ZINC000389816182 711091492 /nfs/dbraw/zinc/09/14/92/711091492.db2.gz PXOUKOWSTPLYDQ-UHFFFAOYSA-N -1 0 239.260 0.004 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)Cc1c(Cl)cnn1C ZINC000394569442 711195466 /nfs/dbraw/zinc/19/54/66/711195466.db2.gz QZLDJKNZBYEYOI-LURJTMIESA-N -1 0 231.683 0.978 20 0 BCADRM O=C([O-])C1(CNC(=O)c2ccncn2)CCC1 ZINC000396483957 711221964 /nfs/dbraw/zinc/22/19/64/711221964.db2.gz HWAHATDKUUFMDX-UHFFFAOYSA-N -1 0 235.243 0.461 20 0 BCADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccncn1 ZINC000396490017 711222831 /nfs/dbraw/zinc/22/28/31/711222831.db2.gz MTDYBCXVKFZPHD-SSDOTTSWSA-N -1 0 223.232 0.460 20 0 BCADRM CCN(CC(=O)[O-])C(=O)N[C@H]1COC(C)(C)C1 ZINC000396488671 711222867 /nfs/dbraw/zinc/22/28/67/711222867.db2.gz JSOYKELLQYCKPH-MRVPVSSYSA-N -1 0 244.291 0.670 20 0 BCADRM CC[C@](C)(NC(=O)c1ccncn1)C(=O)[O-] ZINC000396497861 711222896 /nfs/dbraw/zinc/22/28/96/711222896.db2.gz SLFBHJVJDQUDQK-JTQLQIEISA-N -1 0 223.232 0.460 20 0 BCADRM CC(C)(C(=O)[O-])C(=O)N1CCc2c[nH]nc2C1 ZINC000396850825 711372172 /nfs/dbraw/zinc/37/21/72/711372172.db2.gz KVFIEYPXKIRAEF-UHFFFAOYSA-N -1 0 237.259 0.405 20 0 BCADRM CC[C@H](CCO)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397009045 711373865 /nfs/dbraw/zinc/37/38/65/711373865.db2.gz BHMILDBBZPTWSO-HLTSFMKQSA-N -1 0 229.276 0.374 20 0 BCADRM CC[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])[C@H](C)O ZINC000397051083 711375250 /nfs/dbraw/zinc/37/52/50/711375250.db2.gz YBSJZXOMECRIGQ-KZVJFYERSA-N -1 0 229.276 0.373 20 0 BCADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC000397111679 711376366 /nfs/dbraw/zinc/37/63/66/711376366.db2.gz TWAQNWITUCQPJT-RKDXNWHRSA-N -1 0 249.270 0.405 20 0 BCADRM C[C@H](O)CCCNC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397117569 711376724 /nfs/dbraw/zinc/37/67/24/711376724.db2.gz YAOZNHLUGPUGFC-YIZRAAEISA-N -1 0 229.276 0.374 20 0 BCADRM CC[C@@](C)(CO)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397092087 711376974 /nfs/dbraw/zinc/37/69/74/711376974.db2.gz 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/nfs/dbraw/zinc/37/80/34/711378034.db2.gz IRDPOVMHADKIOY-SFYZADRCSA-N -1 0 237.259 0.147 20 0 BCADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1ccncc1 ZINC000397126661 711378589 /nfs/dbraw/zinc/37/85/89/711378589.db2.gz MYJKYNHGELXSOY-NXEZZACHSA-N -1 0 234.255 0.809 20 0 BCADRM CCn1ccc(=NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])[nH]1 ZINC000397210184 711379124 /nfs/dbraw/zinc/37/91/24/711379124.db2.gz WOGJFWUUTZVBKD-HTQZYQBOSA-N -1 0 237.259 0.374 20 0 BCADRM CCn1cc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cn1 ZINC000397212577 711379551 /nfs/dbraw/zinc/37/95/51/711379551.db2.gz YASLYFPXJMKJGF-RKDXNWHRSA-N -1 0 237.259 0.952 20 0 BCADRM Cn1ccc(CNC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])n1 ZINC000397206575 711379726 /nfs/dbraw/zinc/37/97/26/711379726.db2.gz SXECKFMEVCYFKO-BDAKNGLRSA-N -1 0 237.259 0.147 20 0 BCADRM C[C@H](CCCO)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000397451077 711382828 /nfs/dbraw/zinc/38/28/28/711382828.db2.gz KCQPNMUOILYXFG-IWSPIJDZSA-N -1 0 229.276 0.374 20 0 BCADRM C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])[C@H](C)O1 ZINC000397533208 711385039 /nfs/dbraw/zinc/38/50/39/711385039.db2.gz DPRLEXLGLQUJCV-MQIGXGKASA-N -1 0 241.287 0.779 20 0 BCADRM CC[C@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)C(=O)[O-] ZINC000397773068 711391518 /nfs/dbraw/zinc/39/15/18/711391518.db2.gz LVEWOHOPMLKCHZ-KZVJFYERSA-N -1 0 226.276 0.947 20 0 BCADRM CC[C@@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)C(=O)[O-] ZINC000397773065 711392193 /nfs/dbraw/zinc/39/21/93/711392193.db2.gz LVEWOHOPMLKCHZ-BZNPZCIMSA-N -1 0 226.276 0.947 20 0 BCADRM C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1csnn1 ZINC000398225242 711405186 /nfs/dbraw/zinc/40/51/86/711405186.db2.gz FFBOHKYMHHMUTD-PBXRRBTRSA-N -1 0 241.272 0.436 20 0 BCADRM CCC[C@@H](C)CC(=O)[N-]S(C)(=O)=O ZINC000155430546 711440578 /nfs/dbraw/zinc/44/05/78/711440578.db2.gz JWQDHYLMGKQPMV-SSDOTTSWSA-N -1 0 207.295 0.889 20 0 BCADRM COCCN(CC(=O)[O-])c1cnccn1 ZINC000049607128 711451941 /nfs/dbraw/zinc/45/19/41/711451941.db2.gz WZRPIEYTKGIEJD-UHFFFAOYSA-N 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BCADRM Cc1nc(N(C)C[C@H](C)O)ncc1C(=O)[O-] ZINC000134356745 711500296 /nfs/dbraw/zinc/50/02/96/711500296.db2.gz UPNNZHKQUAZMSK-LURJTMIESA-N -1 0 225.248 0.300 20 0 BCADRM CN(C1CC1)S(=O)(=O)c1occc1C(=O)[O-] ZINC000723232616 711508282 /nfs/dbraw/zinc/50/82/82/711508282.db2.gz PYMVIHUFPRKRKI-UHFFFAOYSA-N -1 0 245.256 0.761 20 0 BCADRM OCc1csc(SCc2nnn[n-]2)n1 ZINC000723376511 711509778 /nfs/dbraw/zinc/50/97/78/711509778.db2.gz UGZISBOKQCHSNF-UHFFFAOYSA-N -1 0 229.290 0.441 20 0 BCADRM Cc1cnc(CN=c2nn[n-]n2C)c(C)c1 ZINC000724024858 711556746 /nfs/dbraw/zinc/55/67/46/711556746.db2.gz TZNCVQRPJVRROR-UHFFFAOYSA-N -1 0 218.264 0.256 20 0 BCADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cccs2)C1 ZINC000386463684 711558517 /nfs/dbraw/zinc/55/85/17/711558517.db2.gz NRWGOFFRENXXRK-SNVBAGLBSA-N -1 0 241.268 0.410 20 0 BCADRM O=C([O-])c1nc(C(=O)NCCCF)cs1 ZINC000721500054 711563651 /nfs/dbraw/zinc/56/36/51/711563651.db2.gz FOCBDRNSOMNTFZ-UHFFFAOYSA-N -1 0 232.236 0.931 20 0 BCADRM CO[C@@H]1CC[C@H]1N(C)c1ccc(C(=O)[O-])nn1 ZINC000724178200 711566506 /nfs/dbraw/zinc/56/65/06/711566506.db2.gz CTKJYEKTVHDMBT-RKDXNWHRSA-N -1 0 237.259 0.788 20 0 BCADRM CC[C@@H](C)CC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000386491037 711567838 /nfs/dbraw/zinc/56/78/38/711567838.db2.gz AZWOFGZSJOABHU-SECBINFHSA-N -1 0 243.303 0.861 20 0 BCADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)C1(C(=O)[O-])CC1 ZINC000724191127 711568395 /nfs/dbraw/zinc/56/83/95/711568395.db2.gz CQRHRNLRLBJKBV-JGVFFNPUSA-N -1 0 227.260 0.487 20 0 BCADRM CO[C@H]1CC[C@H]1N(C)c1cc(C(=O)[O-])ncn1 ZINC000724194098 711568427 /nfs/dbraw/zinc/56/84/27/711568427.db2.gz PUYNJPQBSMRTBT-BDAKNGLRSA-N -1 0 237.259 0.788 20 0 BCADRM CCN(C)C(=O)c1csc(C(=O)[O-])n1 ZINC000721504960 711575585 /nfs/dbraw/zinc/57/55/85/711575585.db2.gz VAUWBCHUYZVTER-UHFFFAOYSA-N -1 0 214.246 0.933 20 0 BCADRM CC(C)O[N-]C(=O)C1=NN(C)C(=O)CC1 ZINC000382222715 711615476 /nfs/dbraw/zinc/61/54/76/711615476.db2.gz BCOKBSOPTUZAMU-UHFFFAOYSA-N -1 0 213.237 0.051 20 0 BCADRM O=C([O-])CCNC(=O)c1ccc2c(c1)NCC2 ZINC000228556298 711636722 /nfs/dbraw/zinc/63/67/22/711636722.db2.gz DEBASPXKZQMTGK-UHFFFAOYSA-N -1 0 234.255 0.859 20 0 BCADRM Cc1nc(NCCn2cccn2)ncc1C(=O)[O-] ZINC000134346729 711643399 /nfs/dbraw/zinc/64/33/99/711643399.db2.gz FIEVEUIMJWAVQP-UHFFFAOYSA-N -1 0 247.258 0.792 20 0 BCADRM C[C@H](O)CCN(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000135612230 711656947 /nfs/dbraw/zinc/65/69/47/711656947.db2.gz MSYRWCCBBACGPI-ZETCQYMHSA-N -1 0 241.243 0.821 20 0 BCADRM C[C@H]1CO[C@H](C(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000718430987 711657444 /nfs/dbraw/zinc/65/74/44/711657444.db2.gz RWPNBNIKECZOKL-HLTSFMKQSA-N -1 0 227.260 0.487 20 0 BCADRM COC[C@@H]1CCN(c2cc(C(=O)[O-])ncn2)C1 ZINC000383380265 711657740 /nfs/dbraw/zinc/65/77/40/711657740.db2.gz AYQVZPKLNXUBTQ-MRVPVSSYSA-N -1 0 237.259 0.648 20 0 BCADRM C[C@H](NC(=O)[C@@H]1CCCOCC1)C(=O)[O-] ZINC000725662450 711669022 /nfs/dbraw/zinc/66/90/22/711669022.db2.gz KMLVIEBMBBKNKN-JGVFFNPUSA-N -1 0 215.249 0.392 20 0 BCADRM C[C@H](NC(=O)[C@H]1CCCOCC1)C(=O)[O-] ZINC000725662453 711669085 /nfs/dbraw/zinc/66/90/85/711669085.db2.gz KMLVIEBMBBKNKN-YUMQZZPRSA-N -1 0 215.249 0.392 20 0 BCADRM C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C(C)(C)O ZINC000394012663 711681607 /nfs/dbraw/zinc/68/16/07/711681607.db2.gz BXAYTRKYBTVMRP-YIZRAAEISA-N -1 0 243.303 0.763 20 0 BCADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1cc[nH]n1 ZINC000397038920 711704804 /nfs/dbraw/zinc/70/48/04/711704804.db2.gz PRXVSPUZQMFRKJ-JGVFFNPUSA-N -1 0 223.232 0.137 20 0 BCADRM C#CC[C@H]([N-]C(=O)C(F)(F)F)C(=O)OC ZINC000035874623 711707827 /nfs/dbraw/zinc/70/78/27/711707827.db2.gz AKMHGBUOJAQJFM-YFKPBYRVSA-N -1 0 223.150 0.230 20 0 BCADRM C[C@@H](CNC(=O)C[C@H]1CCCOC1)C(=O)[O-] ZINC000257633955 711719298 /nfs/dbraw/zinc/71/92/98/711719298.db2.gz LQEOIJLXVUTCCH-DTWKUNHWSA-N -1 0 229.276 0.640 20 0 BCADRM COC(=O)[C@H]1CCN(c2cc(=O)[nH]cn2)[C@H]1C ZINC000893420006 711721379 /nfs/dbraw/zinc/72/13/79/711721379.db2.gz INSXZERAFIIONC-YUMQZZPRSA-N -1 0 237.259 0.570 20 0 BCADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCCO2)ccn1 ZINC000104343899 711724546 /nfs/dbraw/zinc/72/45/46/711724546.db2.gz FVWWWIFSJLLELV-VIFPVBQESA-N -1 0 236.227 0.897 20 0 BCADRM O=C([O-])c1cc(NC(=O)[C@H]2CCCO2)ccn1 ZINC000104343902 711724810 /nfs/dbraw/zinc/72/48/10/711724810.db2.gz FVWWWIFSJLLELV-SECBINFHSA-N -1 0 236.227 0.897 20 0 BCADRM C[C@@H](CC(=O)[O-])Nc1ncnc2c1ncn2C ZINC000257762271 711727896 /nfs/dbraw/zinc/72/78/96/711727896.db2.gz XWUHEPMBGZTJNW-LURJTMIESA-N -1 0 235.247 0.638 20 0 BCADRM Cc1nc(N2C[C@@H]3C[C@@H]3C2)ncc1C(=O)[O-] ZINC000257762242 711727900 /nfs/dbraw/zinc/72/79/00/711727900.db2.gz XUDLIALHEVZAKN-OCAPTIKFSA-N -1 0 219.244 0.939 20 0 BCADRM CC/C(C)=C/C(=O)N[C@](C)(COC)C(=O)[O-] ZINC000909365682 711729004 /nfs/dbraw/zinc/72/90/04/711729004.db2.gz SYZNMYJQVCTHID-LXSSAFMLSA-N -1 0 229.276 0.949 20 0 BCADRM CC/C(C)=C\C(=O)N[C@@](C)(COC)C(=O)[O-] ZINC000909365680 711729006 /nfs/dbraw/zinc/72/90/06/711729006.db2.gz SYZNMYJQVCTHID-JYKYSHPRSA-N -1 0 229.276 0.949 20 0 BCADRM CC1(C(=O)[O-])CN(C(=O)[C@@H](O)c2ccccc2)C1 ZINC000399417548 711747488 /nfs/dbraw/zinc/74/74/88/711747488.db2.gz MLTBNTKAYMFGJI-JTQLQIEISA-N -1 0 249.266 0.653 20 0 BCADRM COC[C@](C)(O)CNC(=O)C[C@H](C)CC(=O)[O-] ZINC000382564406 711753776 /nfs/dbraw/zinc/75/37/76/711753776.db2.gz NDIHYDMRYXXSCN-GZMMTYOYSA-N -1 0 247.291 0.001 20 0 BCADRM CCN(CC(=O)[O-])C(=O)[C@@H]1CCCO1 ZINC000038015287 711755397 /nfs/dbraw/zinc/75/53/97/711755397.db2.gz LBGGGYJGUGHIFP-ZETCQYMHSA-N -1 0 201.222 0.099 20 0 BCADRM C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1CC(=O)[O-] ZINC000722448380 711757892 /nfs/dbraw/zinc/75/78/92/711757892.db2.gz FECOCVBDPNGBRQ-HTQZYQBOSA-N -1 0 237.259 0.593 20 0 BCADRM COCCC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722448319 711757956 /nfs/dbraw/zinc/75/79/56/711757956.db2.gz CTPFRBFVBHIEEX-RKDXNWHRSA-N -1 0 229.276 0.592 20 0 BCADRM C[C@@H]1CN(C(=O)C2CC2)C[C@H]1CC(=O)[O-] ZINC000722448069 711757967 /nfs/dbraw/zinc/75/79/67/711757967.db2.gz BCMRTEJMSNBROE-VXNVDRBHSA-N -1 0 211.261 0.966 20 0 BCADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2cncs2)C1 ZINC000909422691 711775081 /nfs/dbraw/zinc/77/50/81/711775081.db2.gz IMINTMIDTHIRCA-SSDOTTSWSA-N -1 0 240.284 0.619 20 0 BCADRM CC(C)(O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000909436766 711776001 /nfs/dbraw/zinc/77/60/01/711776001.db2.gz USLBUBJDMKDFKM-UHFFFAOYSA-N -1 0 243.303 0.861 20 0 BCADRM C[C@H](CNC(=O)[C@]1(O)CCSC1)CC(=O)[O-] ZINC000909492545 711778475 /nfs/dbraw/zinc/77/84/75/711778475.db2.gz SYDUFPNFABRDOP-XVKPBYJWSA-N -1 0 247.316 0.081 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](COC)C1CC1 ZINC000909548545 711782949 /nfs/dbraw/zinc/78/29/49/711782949.db2.gz DGLZNPFSRWHJLA-IUCAKERBSA-N -1 0 229.276 0.638 20 0 BCADRM COCC[C@@H](NC(=O)C1=CCCC1)C(=O)[O-] ZINC000909623833 711786360 /nfs/dbraw/zinc/78/63/60/711786360.db2.gz GVVWTEUEALBVSH-SECBINFHSA-N -1 0 227.260 0.703 20 0 BCADRM COCC[C@H](NC(=O)C(C)(C)COC)C(=O)[O-] ZINC000909626454 711786440 /nfs/dbraw/zinc/78/64/40/711786440.db2.gz PBXSIIYCFNHTTO-QMMMGPOBSA-N -1 0 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/nfs/dbraw/zinc/03/76/78/385037678.db2.gz SVAKBZUSJSXSAU-UHFFFAOYSA-N -1 0 247.258 0.861 20 0 BCADRM CN(c1ncccc1C(=O)[O-])C1CC(O)C1 ZINC000647453032 385040066 /nfs/dbraw/zinc/04/00/66/385040066.db2.gz UJCBCMZJZJZJTM-UHFFFAOYSA-N -1 0 222.244 0.739 20 0 BCADRM O=S(=O)(CC[C@H]1CCCO1)c1ncc[n-]1 ZINC000188937910 385109016 /nfs/dbraw/zinc/10/90/16/385109016.db2.gz ROLMXURMFYUKAO-MRVPVSSYSA-N -1 0 230.289 0.753 20 0 BCADRM COC[C@H](O)CNC(=O)c1ccc(F)cc1[O-] ZINC000151754625 385129866 /nfs/dbraw/zinc/12/98/66/385129866.db2.gz YQKVFWNPFKHEHK-MRVPVSSYSA-N -1 0 243.234 0.268 20 0 BCADRM O=C(c1ccc(O)cc1O)N1CC[C@H](O)C1 ZINC000061704191 385130969 /nfs/dbraw/zinc/13/09/69/385130969.db2.gz PNCAQKPLQVTWIF-QMMMGPOBSA-N -1 0 223.228 0.305 20 0 BCADRM O=C(Nc1ccc(F)cn1)c1n[nH]c(=O)[n-]1 ZINC000530881717 385132683 /nfs/dbraw/zinc/13/26/83/385132683.db2.gz SHCJZYIJMRGDAN-UHFFFAOYSA-N -1 0 223.167 0.297 20 0 BCADRM Cc1ccc(C(=O)N2CC[C@H](O)C2)c(O)c1 ZINC000061704626 385132707 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/nfs/dbraw/zinc/22/79/26/385227926.db2.gz AJQSYXLAHWDVTR-UHFFFAOYSA-N -1 0 231.145 0.820 20 0 BCADRM Cc1ncccc1C(=O)[N-]S(=O)(=O)C(C)C ZINC000178319978 385228067 /nfs/dbraw/zinc/22/80/67/385228067.db2.gz HJBSLUFHEOQLMC-UHFFFAOYSA-N -1 0 242.300 0.858 20 0 BCADRM CCOC1CC(N(C)C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000557960720 385249883 /nfs/dbraw/zinc/24/98/83/385249883.db2.gz QVLSGSBHXGJPQP-UHFFFAOYSA-N -1 0 240.263 0.150 20 0 BCADRM C[C@H](CN(C)C(=O)[C@@H]1CC12CC2)C(=O)[O-] ZINC000647250110 385249934 /nfs/dbraw/zinc/24/99/34/385249934.db2.gz BNCPVZXHZJXYMV-SFYZADRCSA-N -1 0 211.261 0.966 20 0 BCADRM O=C([O-])C(=O)NCc1ccc(O)c(F)c1 ZINC000308886668 385252456 /nfs/dbraw/zinc/25/24/56/385252456.db2.gz WASSKVQZZVZZJU-UHFFFAOYSA-N -1 0 213.164 0.232 20 0 BCADRM O=C([O-])C1(CNC(=O)CCn2cccc2)CC1 ZINC000648336277 385254339 /nfs/dbraw/zinc/25/43/39/385254339.db2.gz CLDFBELEJQNRQE-UHFFFAOYSA-N -1 0 236.271 0.859 20 0 BCADRM Cc1cc(C)c(C(=O)NCCC(=O)[O-])[nH]1 ZINC000330363578 385255526 /nfs/dbraw/zinc/25/55/26/385255526.db2.gz KPPPBXISJUNOFB-UHFFFAOYSA-N -1 0 210.233 0.836 20 0 BCADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@]1(C)CCCO1 ZINC000164807733 385309445 /nfs/dbraw/zinc/30/94/45/385309445.db2.gz INBUFWJQOVOWPL-FYBVGQRMSA-N -1 0 229.276 0.781 20 0 BCADRM Cc1ncoc1C(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000164808456 385310736 /nfs/dbraw/zinc/31/07/36/385310736.db2.gz QXZLDDLXJHTJLJ-PHDIDXHHSA-N -1 0 226.232 0.822 20 0 BCADRM C[C@@H](NC(=O)c1cccn1C)[C@@H](C)C(=O)[O-] ZINC000164811329 385311127 /nfs/dbraw/zinc/31/11/27/385311127.db2.gz IYJDSEPYVRYWMF-HTQZYQBOSA-N -1 0 224.260 0.864 20 0 BCADRM CCO[C@@H](C(=O)NCC(=O)[O-])c1ccccc1 ZINC000154311666 385317851 /nfs/dbraw/zinc/31/78/51/385317851.db2.gz ABWSEUZRLOXIFD-LLVKDONJSA-N -1 0 237.255 0.965 20 0 BCADRM O=C([O-])c1cccc(N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)n1 ZINC000228042912 385321031 /nfs/dbraw/zinc/32/10/31/385321031.db2.gz XGBQESWYNFBDSN-IQJOONFLSA-N -1 0 248.282 0.987 20 0 BCADRM CCN(CC(=O)[O-])C(=O)c1cnc(C)nc1C ZINC000190793622 385263304 /nfs/dbraw/zinc/26/33/04/385263304.db2.gz NOGJLOCVGUVGGT-UHFFFAOYSA-N -1 0 237.259 0.640 20 0 BCADRM O=C(Nc1nnn[n-]1)c1noc2c1CCCCC2 ZINC000153777603 385283297 /nfs/dbraw/zinc/28/32/97/385283297.db2.gz RWGDJQGPOSEVMI-UHFFFAOYSA-N -1 0 248.246 0.709 20 0 BCADRM C[C@@H](CO)N(C)C(=O)c1c([O-])cccc1F ZINC000131429115 385333234 /nfs/dbraw/zinc/33/32/34/385333234.db2.gz OZXGRECPUXXLRY-ZETCQYMHSA-N -1 0 227.235 0.984 20 0 BCADRM O=C([O-])C1(C(=O)Nc2ccc3n[nH]nc3c2)CC1 ZINC000165019344 385339179 /nfs/dbraw/zinc/33/91/79/385339179.db2.gz CTJSNEGGLYTVGR-UHFFFAOYSA-N -1 0 246.226 0.761 20 0 BCADRM CNS(=O)(=O)c1cc(C(=O)N2CCC2)co1 ZINC000407997976 385344006 /nfs/dbraw/zinc/34/40/06/385344006.db2.gz ZGIZRQPWDXCMRU-UHFFFAOYSA-N -1 0 244.272 0.034 20 0 BCADRM O=C([O-])c1coc(C(=O)N2CCCOCC2)c1 ZINC000228145955 385346009 /nfs/dbraw/zinc/34/60/09/385346009.db2.gz YUIIRFCPFRYQQD-UHFFFAOYSA-N -1 0 239.227 0.840 20 0 BCADRM CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCO1 ZINC000179116326 385365095 /nfs/dbraw/zinc/36/50/95/385365095.db2.gz XUYAJZLJVLEAHH-QMMMGPOBSA-N -1 0 235.305 0.410 20 0 BCADRM CO[C@H](C)CS(=O)(=O)Nc1cnn(C)c1 ZINC000193116884 385384530 /nfs/dbraw/zinc/38/45/30/385384530.db2.gz ZLGXBWJYNRALRJ-SSDOTTSWSA-N -1 0 233.293 0.197 20 0 BCADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)C1CCC1 ZINC000180200851 385386045 /nfs/dbraw/zinc/38/60/45/385386045.db2.gz WPLHXWLQAMHCLB-SECBINFHSA-N -1 0 247.316 0.412 20 0 BCADRM CCc1[n-]n(C)c(=O)c1C(=O)NCc1ccco1 ZINC000155637405 385403084 /nfs/dbraw/zinc/40/30/84/385403084.db2.gz BJZGNKPYZZBCIF-JTQLQIEISA-N -1 0 249.270 0.750 20 0 BCADRM Cc1nnsc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000020249903 385452891 /nfs/dbraw/zinc/45/28/91/385452891.db2.gz CLATYQYNHWWTCH-ZCFIWIBFSA-N -1 0 243.288 0.686 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)CC(F)(F)F ZINC000054050909 385428575 /nfs/dbraw/zinc/42/85/75/385428575.db2.gz WYGODZLAPDHNEV-SCSAIBSYSA-N -1 0 213.155 0.870 20 0 BCADRM C[C@@H](O)c1ccc(CNC(=O)c2cn[nH]n2)cc1 ZINC000171127813 385469626 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ZINC000083602697 388644477 /nfs/dbraw/zinc/64/44/77/388644477.db2.gz IAROGCYEPYRWDH-MRVPVSSYSA-N -1 0 235.305 0.425 20 0 BCADRM O=C([O-])CCC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000037836109 388648239 /nfs/dbraw/zinc/64/82/39/388648239.db2.gz JFSMEIIIJDVXNH-SECBINFHSA-N -1 0 241.287 0.879 20 0 BCADRM Cc1cc(N(C)CCC(=O)[O-])n2ncnc2n1 ZINC000037932546 388650451 /nfs/dbraw/zinc/65/04/51/388650451.db2.gz UIVSWBXAHLMBQH-UHFFFAOYSA-N -1 0 235.247 0.344 20 0 BCADRM CCO[C@@H](CC)C(=O)NCCSCC(=O)[O-] ZINC000124100065 388660163 /nfs/dbraw/zinc/66/01/63/388660163.db2.gz NJODSZRQTDNMFV-QMMMGPOBSA-N -1 0 249.332 0.736 20 0 BCADRM C[C@@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]2)CCO1 ZINC000538925064 388741991 /nfs/dbraw/zinc/74/19/91/388741991.db2.gz GBEYGTMPIYQXSQ-RNFRBKRXSA-N -1 0 240.263 0.055 20 0 BCADRM CN(CCn1cccn1)c1nc(C(=O)[O-])co1 ZINC000564213869 388744662 /nfs/dbraw/zinc/74/46/62/388744662.db2.gz LROLTNUEPJAYNP-UHFFFAOYSA-N -1 0 236.231 0.706 20 0 BCADRM CO[C@H](CNC(=O)C=C(C)C)C(=O)[O-] ZINC000227260533 388745848 /nfs/dbraw/zinc/74/58/48/388745848.db2.gz BDOYENCQUOKULB-SSDOTTSWSA-N -1 0 201.222 0.168 20 0 BCADRM CO[C@H](CNC(=O)c1cscc1C)C(=O)[O-] ZINC000227271015 388746934 /nfs/dbraw/zinc/74/69/34/388746934.db2.gz JHZPZWZMIHDROR-MRVPVSSYSA-N -1 0 243.284 0.886 20 0 BCADRM COC[C@H](NC(=O)NCc1ccoc1)C(=O)[O-] ZINC000126301567 388693996 /nfs/dbraw/zinc/69/39/96/388693996.db2.gz DFOCNTQTNRUUJT-QMMMGPOBSA-N -1 0 242.231 0.178 20 0 BCADRM COc1n[nH]c(NC(=O)c2ccco2)n1 ZINC000126818246 388704813 /nfs/dbraw/zinc/70/48/13/388704813.db2.gz ODRVTHAGHSCRKW-UHFFFAOYSA-N -1 0 208.177 0.659 20 0 BCADRM Cc1c(CNC(=O)C(C)(C)C(=O)[O-])cnn1C ZINC000226345519 388716005 /nfs/dbraw/zinc/71/60/05/388716005.db2.gz BPCHYQPUNIIVCZ-UHFFFAOYSA-N -1 0 239.275 0.456 20 0 BCADRM CN(CCO)C(=O)c1c([O-])cccc1F ZINC000127191605 388717578 /nfs/dbraw/zinc/71/75/78/388717578.db2.gz ZWNIKNGMTUBRFN-UHFFFAOYSA-N -1 0 213.208 0.596 20 0 BCADRM CCS(=O)(=O)NCC1(CC(=O)[O-])CCC1 ZINC000088048802 388717775 /nfs/dbraw/zinc/71/77/75/388717775.db2.gz YVWYYJCSNAGANR-UHFFFAOYSA-N -1 0 235.305 0.571 20 0 BCADRM CO[C@H]1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]1 ZINC000540468485 388806890 /nfs/dbraw/zinc/80/68/90/388806890.db2.gz SBGISDQRANOTQA-RQJHMYQMSA-N -1 0 240.263 0.055 20 0 BCADRM Cc1ocnc1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000539572738 388766827 /nfs/dbraw/zinc/76/68/27/388766827.db2.gz GKPCFDMZNCCSFR-UHFFFAOYSA-N -1 0 238.243 0.968 20 0 BCADRM C[C@@]1(NC(=O)CCCCC(=O)[O-])CCOC1 ZINC000229445422 388789149 /nfs/dbraw/zinc/78/91/49/388789149.db2.gz RFLUUFZQIYHEBH-LLVKDONJSA-N -1 0 229.276 0.927 20 0 BCADRM CC[C@H](C)CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000230117087 388816494 /nfs/dbraw/zinc/81/64/94/388816494.db2.gz HYGCGMJAZSYNCV-XHNCKOQMSA-N -1 0 229.276 0.781 20 0 BCADRM CO[C@]1(C)C[C@H](NC(=O)NCC(=O)[O-])C1(C)C ZINC000554604499 388824313 /nfs/dbraw/zinc/82/43/13/388824313.db2.gz NXLGSBFAXKYUOO-WRWORJQWSA-N -1 0 244.291 0.574 20 0 BCADRM CC(C)[C@@H](CCO)Nc1ccc(C(=O)[O-])nn1 ZINC000231086182 388834952 /nfs/dbraw/zinc/83/49/52/388834952.db2.gz HEMLDPZEAMOKAA-MRVPVSSYSA-N -1 0 239.275 0.994 20 0 BCADRM C[C@@H]1C[C@H]1CNC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000231807061 388842765 /nfs/dbraw/zinc/84/27/65/388842765.db2.gz CFCILTGAESBVQW-FYBVGQRMSA-N -1 0 242.275 0.185 20 0 BCADRM COCCN(CCOC(C)(C)C)CC(=O)[O-] ZINC000163074731 388852253 /nfs/dbraw/zinc/85/22/53/388852253.db2.gz XESFLDNZMJUVEN-UHFFFAOYSA-N -1 0 233.308 0.835 20 0 BCADRM COc1cccc(CN(C)[C@H](C)C(=O)[O-])n1 ZINC000069637739 388854969 /nfs/dbraw/zinc/85/49/69/388854969.db2.gz RPUCZNRQXXGLNU-MRVPVSSYSA-N -1 0 224.260 0.995 20 0 BCADRM CC(C)COCCN1CCO[C@H](CC(=O)[O-])C1 ZINC000232670254 388856354 /nfs/dbraw/zinc/85/63/54/388856354.db2.gz BMZOWLMVZXMTAP-LLVKDONJSA-N -1 0 245.319 0.835 20 0 BCADRM CCCCN(CCCO)C(=O)c1n[nH]c(=O)[n-]1 ZINC000541825306 388869499 /nfs/dbraw/zinc/86/94/99/388869499.db2.gz SAVJUFULNADDHJ-UHFFFAOYSA-N -1 0 242.279 0.135 20 0 BCADRM Cc1ncc(CNC(=O)NCCCF)c(=O)[nH]1 ZINC000541341424 388849836 /nfs/dbraw/zinc/84/98/36/388849836.db2.gz NKTFMXOEAQALSE-UHFFFAOYSA-N -1 0 242.254 0.649 20 0 BCADRM C[C@@]1(C(=O)NCC2(C(=O)[O-])CCC2)CCCO1 ZINC000147406506 388850185 /nfs/dbraw/zinc/85/01/85/388850185.db2.gz CXWCAXRFKIFVBU-NSHDSACASA-N -1 0 241.287 0.927 20 0 BCADRM Cc1n[nH]c(C(=O)N[C@H]2CO[C@@H](C)C2)c1[O-] ZINC000649150824 388879745 /nfs/dbraw/zinc/87/97/45/388879745.db2.gz XAMJWZVVCBMDLP-CAHLUQPWSA-N -1 0 225.248 0.331 20 0 BCADRM C[C@H](NC(=O)c1cn2c(n1)CCC2)C(=O)[O-] ZINC000564980538 388905612 /nfs/dbraw/zinc/90/56/12/388905612.db2.gz SIYKQWWWDIHYNQ-LURJTMIESA-N -1 0 223.232 0.032 20 0 BCADRM O=C([O-])[C@H]1CN(c2ncnc3[nH]ccc32)CCO1 ZINC000565039359 388909629 /nfs/dbraw/zinc/90/96/29/388909629.db2.gz YWPYVJORQJUKOD-MRVPVSSYSA-N -1 0 248.242 0.248 20 0 BCADRM O=C([O-])[C@H]1CN(CCOCC2CCC2)CCO1 ZINC000565107071 388914488 /nfs/dbraw/zinc/91/44/88/388914488.db2.gz TTZWLNFDTLTZHQ-LLVKDONJSA-N -1 0 243.303 0.589 20 0 BCADRM CCO[C@@H]1CCC[C@H]1N=c1nn[n-]n1C ZINC000565639593 388960202 /nfs/dbraw/zinc/96/02/02/388960202.db2.gz PYVHDYGAKSVLHZ-HTQZYQBOSA-N -1 0 211.269 0.002 20 0 BCADRM CCOC(=O)CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000565426751 388944349 /nfs/dbraw/zinc/94/43/49/388944349.db2.gz IOFYLMVSXIFJEE-RKDXNWHRSA-N -1 0 229.276 0.592 20 0 BCADRM CC[C@H](CCO)CNC(=O)C1(C(=O)[O-])CC1 ZINC000565836484 388972903 /nfs/dbraw/zinc/97/29/03/388972903.db2.gz PJZRGNWKYUQRBK-MRVPVSSYSA-N -1 0 229.276 0.376 20 0 BCADRM Cc1nccc(N2CCO[C@H](C(=O)[O-])C2)n1 ZINC000054935317 132365160 /nfs/dbraw/zinc/36/51/60/132365160.db2.gz XGFDVYDNRMKMPD-QMMMGPOBSA-N -1 0 223.232 0.075 20 0 BCADRM C[C@@H](NC(=O)OC[C@@H]1CCCO1)C(=O)[O-] ZINC000496999429 533234986 /nfs/dbraw/zinc/23/49/86/533234986.db2.gz RFAWOHVWVUCWPF-RQJHMYQMSA-N -1 0 217.221 0.365 20 0 BCADRM COC[C@@H](NC(=O)/C=C/C(C)(C)C)C(=O)[O-] ZINC000493067260 533349152 /nfs/dbraw/zinc/34/91/52/533349152.db2.gz ZTLCUYYXNYSNBD-HQZHTGGTSA-N -1 0 229.276 0.805 20 0 BCADRM CC[C@@H](C)CC(=O)N[C@@H](COC)C(=O)[O-] ZINC000164237098 535474939 /nfs/dbraw/zinc/47/49/39/535474939.db2.gz XFNMNKHSAXZESG-SFYZADRCSA-N -1 0 217.265 0.638 20 0 BCADRM CC[C@H]1C(=O)NCCN1c1cccc(C(=O)[O-])n1 ZINC000104134559 132267044 /nfs/dbraw/zinc/26/70/44/132267044.db2.gz SAHIJIKXDMUJMB-VIFPVBQESA-N -1 0 249.270 0.495 20 0 BCADRM C[C@@H]1CN(c2cncc(C(=O)[O-])n2)C[C@@H](C)O1 ZINC000006488517 132318298 /nfs/dbraw/zinc/31/82/98/132318298.db2.gz XIULXUOWYGUTMI-HTQZYQBOSA-N -1 0 237.259 0.788 20 0 BCADRM NC(=O)C1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC000019844948 132327443 /nfs/dbraw/zinc/32/74/43/132327443.db2.gz YHASMNWKRLSDOH-UHFFFAOYSA-N -1 0 249.270 0.482 20 0 BCADRM Cc1cc2c(N[C@H](C)C(=O)[O-])nccn2n1 ZINC000156918488 133476293 /nfs/dbraw/zinc/47/62/93/133476293.db2.gz KHNGIDGXEPBIDD-SSDOTTSWSA-N -1 0 220.232 0.923 20 0 BCADRM O=C([O-])[C@@H]1CCCN1C(=O)c1csnn1 ZINC000083591383 133527967 /nfs/dbraw/zinc/52/79/67/133527967.db2.gz DXQUUZWGMDHQGH-LURJTMIESA-N -1 0 227.245 0.227 20 0 BCADRM COC[C@@H](NC(=O)c1ccc(Cl)o1)C(=O)[O-] ZINC000088000146 133542659 /nfs/dbraw/zinc/54/26/59/133542659.db2.gz PYBHVZOWBNKCDK-RXMQYKEDSA-N -1 0 247.634 0.762 20 0 BCADRM O=c1[n-]c(S(=O)(=O)CCC(F)(F)F)n[nH]1 ZINC000350174333 133942226 /nfs/dbraw/zinc/94/22/26/133942226.db2.gz BIQZNMFCDGKYOR-UHFFFAOYSA-N -1 0 245.182 0.236 20 0 BCADRM CCC[C@H](C)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000085231426 134246996 /nfs/dbraw/zinc/24/69/96/134246996.db2.gz BGWHIBKWPFOYFQ-OIBJUYFYSA-N -1 0 217.265 0.374 20 0 BCADRM CC(C)(C)CC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000085231582 134247270 /nfs/dbraw/zinc/24/72/70/134247270.db2.gz MLGXBLPWPAQAQO-SNVBAGLBSA-N -1 0 217.265 0.374 20 0 BCADRM CC(C)CCC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000085231600 134247322 /nfs/dbraw/zinc/24/73/22/134247322.db2.gz PPJZXHZGTUBDBO-SNVBAGLBSA-N -1 0 217.265 0.374 20 0 BCADRM CCCCCC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000085231616 134247358 /nfs/dbraw/zinc/24/73/58/134247358.db2.gz NWRXOBDRDDILSH-SNVBAGLBSA-N -1 0 217.265 0.519 20 0 BCADRM Cc1occc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000085231620 134247426 /nfs/dbraw/zinc/24/74/26/134247426.db2.gz IESFGXYEVQRGES-SNVBAGLBSA-N -1 0 227.216 0.153 20 0 BCADRM CCO[C@H]1C[C@H]1C(=O)N(CC(=O)[O-])C(C)C ZINC000178069864 134302971 /nfs/dbraw/zinc/30/29/71/134302971.db2.gz LVIPWGRFNWGFQT-BDAKNGLRSA-N -1 0 229.276 0.733 20 0 BCADRM O=S(=O)([N-]c1ccon1)c1cccnc1 ZINC000180666516 134330650 /nfs/dbraw/zinc/33/06/50/134330650.db2.gz YOIIADSRUPHTFE-UHFFFAOYSA-N -1 0 225.229 0.870 20 0 BCADRM CSCCN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000222783312 134334001 /nfs/dbraw/zinc/33/40/01/134334001.db2.gz YVHZJVMUFLWXCM-SFYZADRCSA-N -1 0 247.316 0.440 20 0 BCADRM O=C([O-])CNC(=O)c1cnn2ccccc12 ZINC000224709291 134350199 /nfs/dbraw/zinc/35/01/99/134350199.db2.gz YABFKDMHUFSCGK-UHFFFAOYSA-N -1 0 219.200 0.149 20 0 BCADRM CSCC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000085610291 134442499 /nfs/dbraw/zinc/44/24/99/134442499.db2.gz MIXNBQRVIVVGAA-SSDOTTSWSA-N -1 0 249.357 0.768 20 0 BCADRM CN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)C ZINC000230274674 134500984 /nfs/dbraw/zinc/50/09/84/134500984.db2.gz FXSWPWGSTSYDIQ-UHFFFAOYSA-N -1 0 237.321 0.769 20 0 BCADRM COc1cc(C(=O)NC(C)(C)C(=O)[O-])on1 ZINC000190674885 134563254 /nfs/dbraw/zinc/56/32/54/134563254.db2.gz HBJVDESMBSJVJX-UHFFFAOYSA-N -1 0 228.204 0.276 20 0 BCADRM COCCC(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000234623019 134581680 /nfs/dbraw/zinc/58/16/80/134581680.db2.gz ZWWDFIPGVIYTSV-WCBMZHEXSA-N -1 0 229.276 0.735 20 0 BCADRM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@@H]1C(=O)[O-] ZINC000235292478 134588409 /nfs/dbraw/zinc/58/84/09/134588409.db2.gz AWRCIGVYYFEDLJ-SCZZXKLOSA-N -1 0 249.270 0.802 20 0 BCADRM C[C@H]1CC[C@H](NC(=O)N(C)CC(=O)[O-])C1 ZINC000129781372 134613597 /nfs/dbraw/zinc/61/35/97/134613597.db2.gz GWJKVZCRHRWVCN-YUMQZZPRSA-N -1 0 214.265 0.901 20 0 BCADRM CC1CC(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000408483823 134740523 /nfs/dbraw/zinc/74/05/23/134740523.db2.gz CSHNPQNCWDZLNL-AMDVSUOASA-N -1 0 247.316 0.267 20 0 BCADRM C[C@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(C)(=O)=O ZINC000408485527 134742683 /nfs/dbraw/zinc/74/26/83/134742683.db2.gz QSGFFNPRRMQWGH-RNFRBKRXSA-N -1 0 233.289 0.068 20 0 BCADRM CCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@@H]1C(C)C ZINC000408487431 134743384 /nfs/dbraw/zinc/74/33/84/134743384.db2.gz VXOHCIDZLKELFU-RKDXNWHRSA-N -1 0 249.332 0.513 20 0 BCADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC1(F)F ZINC000408498581 134752243 /nfs/dbraw/zinc/75/22/43/134752243.db2.gz TZVFZSNWYMIKHC-PHDIDXHHSA-N -1 0 241.259 0.886 20 0 BCADRM O=C([N-]S(=O)(=O)C1CCC1)[C@@H]1CCC(=O)C1 ZINC000408503533 134756996 /nfs/dbraw/zinc/75/69/96/134756996.db2.gz VYVQWPSZLDWSJS-SSDOTTSWSA-N -1 0 245.300 0.354 20 0 BCADRM CCS(=O)(=O)NCCCCC(=O)[O-] ZINC000069731920 134902795 /nfs/dbraw/zinc/90/27/95/134902795.db2.gz KUDXJOYWUFTEIE-UHFFFAOYSA-N -1 0 209.267 0.181 20 0 BCADRM C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CC1 ZINC000070908250 135015121 /nfs/dbraw/zinc/01/51/21/135015121.db2.gz DLBCPWBSIWQLDQ-VIFPVBQESA-N -1 0 233.289 0.418 20 0 BCADRM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N[C@H]1CCOC1 ZINC000251221878 135066122 /nfs/dbraw/zinc/06/61/22/135066122.db2.gz ZRABTKKLPKCICJ-FXQIFTODSA-N -1 0 227.260 0.248 20 0 BCADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CCCO1 ZINC000251882793 135080177 /nfs/dbraw/zinc/08/01/77/135080177.db2.gz UXWUVLBTSWQMMY-IWSPIJDZSA-N -1 0 227.260 0.345 20 0 BCADRM CC(C)CCC(=O)NCCOCC(=O)[O-] ZINC000086433552 135084010 /nfs/dbraw/zinc/08/40/10/135084010.db2.gz GJUGKCKJEVYXMV-UHFFFAOYSA-N -1 0 217.265 0.640 20 0 BCADRM CC(C)(C)CC(=O)NCCOCC(=O)[O-] ZINC000086433444 135084202 /nfs/dbraw/zinc/08/42/02/135084202.db2.gz RXODHCHYUZBTNN-UHFFFAOYSA-N -1 0 217.265 0.640 20 0 BCADRM O=C([O-])CC1(NC(=O)[C@@H]2CCCO2)CCC1 ZINC000086852121 135098595 /nfs/dbraw/zinc/09/85/95/135098595.db2.gz DQHUAHILGHCMMT-QMMMGPOBSA-N -1 0 227.260 0.679 20 0 BCADRM COCCC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000087187953 135111508 /nfs/dbraw/zinc/11/15/08/135111508.db2.gz CRNGFUDRBHYWBN-SECBINFHSA-N -1 0 231.292 0.886 20 0 BCADRM C[C@H](CN(C)C(=O)[C@@]1(C)CCCO1)C(=O)[O-] ZINC000087229652 135111906 /nfs/dbraw/zinc/11/19/06/135111906.db2.gz XZIAIWZEFHKIHJ-LDYMZIIASA-N -1 0 229.276 0.735 20 0 BCADRM C[C@H](CC(=O)[O-])NC(=O)[C@]1(C)CCCO1 ZINC000087229620 135112982 /nfs/dbraw/zinc/11/29/82/135112982.db2.gz XWXYXCCFRBPLFC-XCBNKYQSSA-N -1 0 215.249 0.535 20 0 BCADRM C[C@@]1(C(=O)NCCCC(=O)[O-])CCCO1 ZINC000087229598 135113584 /nfs/dbraw/zinc/11/35/84/135113584.db2.gz CSILLEXKEFEECJ-JTQLQIEISA-N -1 0 215.249 0.537 20 0 BCADRM CN(c1cccc(C(=O)[O-])n1)C1CC(O)C1 ZINC000263434135 135127191 /nfs/dbraw/zinc/12/71/91/135127191.db2.gz USXVDXOXYYYGLP-UHFFFAOYSA-N -1 0 222.244 0.739 20 0 BCADRM O=C([O-])c1cnc(C(=O)NC2CCCC2)cn1 ZINC000257893015 135132134 /nfs/dbraw/zinc/13/21/34/135132134.db2.gz JFAZKCPZHOQZJS-UHFFFAOYSA-N -1 0 235.243 0.847 20 0 BCADRM O=C([O-])c1cnc(C(=O)NC2CCC2)cn1 ZINC000257884750 135132319 /nfs/dbraw/zinc/13/23/19/135132319.db2.gz HWSIJHCTHAKYKM-UHFFFAOYSA-N -1 0 221.216 0.457 20 0 BCADRM COCCCC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000087420581 135136250 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135298723 /nfs/dbraw/zinc/29/87/23/135298723.db2.gz KNDREUFQWOLSQO-UHFFFAOYSA-N -1 0 243.303 0.982 20 0 BCADRM C[C@H](OC[C@H]1CCCCO1)C(=O)NCC(=O)[O-] ZINC000262388711 135299007 /nfs/dbraw/zinc/29/90/07/135299007.db2.gz AARVGZOCNWFLIL-DTWKUNHWSA-N -1 0 245.275 0.161 20 0 BCADRM C[C@@H](NC(=O)[C@H](C)OC[C@@H]1CCCO1)C(=O)[O-] ZINC000262439777 135299811 /nfs/dbraw/zinc/29/98/11/135299811.db2.gz NDGOLQOURGTTCY-VGMNWLOBSA-N -1 0 245.275 0.160 20 0 BCADRM CCCCO[C@@H](C)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262470758 135300735 /nfs/dbraw/zinc/30/07/35/135300735.db2.gz YZGULONVGQVETI-GZMMTYOYSA-N -1 0 247.291 0.143 20 0 BCADRM CN(CCC(=O)[O-])C(=O)c1cnn2cccnc12 ZINC000262532970 135304887 /nfs/dbraw/zinc/30/48/87/135304887.db2.gz PNTJRHOVBQNAMD-UHFFFAOYSA-N -1 0 248.242 0.276 20 0 BCADRM Cc1noc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC000262598240 135308150 /nfs/dbraw/zinc/30/81/50/135308150.db2.gz JFVKKVRGHYOYKB-JSKYLQRQSA-N -1 0 239.231 0.276 20 0 BCADRM C[C@@H]1C[C@H](C(=O)N[C@@H](C(=O)[O-])C2CC2)CCO1 ZINC000262691352 135314185 /nfs/dbraw/zinc/31/41/85/135314185.db2.gz BPVFEBSUOMESHM-SZEHBUNVSA-N -1 0 241.287 0.781 20 0 BCADRM O=C([O-])[C@@]1(F)CCN(C(=O)C[C@H]2CCCO2)C1 ZINC000262699590 135314820 /nfs/dbraw/zinc/31/48/20/135314820.db2.gz BVJKUUCINPATDF-LDYMZIIASA-N -1 0 245.250 0.581 20 0 BCADRM CCO[C@@H]1C[C@H]1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000262698231 135314851 /nfs/dbraw/zinc/31/48/51/135314851.db2.gz BPPPBEIMLSGUHY-XLDPMVHQSA-N -1 0 245.250 0.437 20 0 BCADRM C[C@@H](NC(=O)CCOC1CCOCC1)C(=O)[O-] ZINC000262725197 135315994 /nfs/dbraw/zinc/31/59/94/135315994.db2.gz YOKQDUMSDQJFEM-MRVPVSSYSA-N -1 0 245.275 0.161 20 0 BCADRM O=C([O-])CCCNC(=O)CCCn1cccn1 ZINC000262739307 135316601 /nfs/dbraw/zinc/31/66/01/135316601.db2.gz HUMBQQOCHXARTQ-UHFFFAOYSA-N -1 0 239.275 0.644 20 0 BCADRM COc1nc(C)ccc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000262747625 135316606 /nfs/dbraw/zinc/31/66/06/135316606.db2.gz IBHJZPBNQCFGFG-ZETCQYMHSA-N -1 0 238.243 0.602 20 0 BCADRM CC[C@H](C)OCC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000262738241 135316711 /nfs/dbraw/zinc/31/67/11/135316711.db2.gz GBYHBZQBNFDAGA-GZMMTYOYSA-N -1 0 247.266 0.827 20 0 BCADRM C/C=C/C[C@@H](NC(=O)c1cnn(C)c1)C(=O)[O-] ZINC000262775721 135318029 /nfs/dbraw/zinc/31/80/29/135318029.db2.gz IEZIKIAEGRCPKV-CDAZIORVSA-N -1 0 237.259 0.569 20 0 BCADRM CN(CCc1cnccn1)C(=O)CCC(=O)[O-] ZINC000262801617 135318731 /nfs/dbraw/zinc/31/87/31/135318731.db2.gz OHNDVRWBFDUOEI-UHFFFAOYSA-N -1 0 237.259 0.342 20 0 BCADRM CC1(C)C[C@@H]1C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000262821384 135320148 /nfs/dbraw/zinc/32/01/48/135320148.db2.gz BREJJGFXQBDVCO-PRHODGIISA-N -1 0 241.287 0.783 20 0 BCADRM Cc1cn2nc(N[C@H](C)C(=O)[O-])sc2n1 ZINC000262831694 135320521 /nfs/dbraw/zinc/32/05/21/135320521.db2.gz ROSMPRSLUQOYHW-RXMQYKEDSA-N -1 0 226.261 0.984 20 0 BCADRM C[C@@]1(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCCO1 ZINC000262829402 135320548 /nfs/dbraw/zinc/32/05/48/135320548.db2.gz RXMPZKGXXXXMCL-QWRGUYRKSA-N -1 0 245.250 0.581 20 0 BCADRM C[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000262855911 135321587 /nfs/dbraw/zinc/32/15/87/135321587.db2.gz HKMNAYHFQGBNJW-RKDXNWHRSA-N -1 0 243.303 0.981 20 0 BCADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCCOC1 ZINC000079478877 135322745 /nfs/dbraw/zinc/32/27/45/135322745.db2.gz GOJSLZFCVYUAQN-SKDRFNHKSA-N -1 0 241.287 0.879 20 0 BCADRM C[C@@H]1C[C@H](C)N1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000334167016 135323747 /nfs/dbraw/zinc/32/37/47/135323747.db2.gz ARVFCXUACGILKN-OLQVQODUSA-N -1 0 242.304 0.612 20 0 BCADRM C[C@@H](CN(C)C(=O)[C@]1(C)CCCOC1)C(=O)[O-] ZINC000262933997 135323969 /nfs/dbraw/zinc/32/39/69/135323969.db2.gz BPTXCVRWZDXZKG-JOYOIKCWSA-N -1 0 243.303 0.982 20 0 BCADRM Cc1cc(=O)[nH]cc1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000262919315 135324146 /nfs/dbraw/zinc/32/41/46/135324146.db2.gz UYDVDSTZQJXUBQ-ZETCQYMHSA-N -1 0 238.243 0.641 20 0 BCADRM Cc1cc(=O)[nH]cc1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000262919314 135324205 /nfs/dbraw/zinc/32/42/05/135324205.db2.gz 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/nfs/dbraw/zinc/33/42/42/135334242.db2.gz WXTIMSYZSDNSCQ-HTQZYQBOSA-N -1 0 231.292 0.884 20 0 BCADRM CC(C)OC(=O)[C@@H](C)CNC(=O)[C@@H](C)C(=O)[O-] ZINC000263146279 135335808 /nfs/dbraw/zinc/33/58/08/135335808.db2.gz OVHYTFCFURJJGU-JGVFFNPUSA-N -1 0 245.275 0.411 20 0 BCADRM COCC1(C(=O)N(C)C[C@@H](C)C(=O)[O-])CCC1 ZINC000263173910 135337278 /nfs/dbraw/zinc/33/72/78/135337278.db2.gz QMBZIFYSRYBJFD-SECBINFHSA-N -1 0 243.303 0.982 20 0 BCADRM C[C@@H](CC(=O)[O-])NC(=O)[C@@]1(C)CCCOC1 ZINC000263169605 135337437 /nfs/dbraw/zinc/33/74/37/135337437.db2.gz PTYOECLLFZKYOS-KWQFWETISA-N -1 0 229.276 0.783 20 0 BCADRM CCCC(=O)N1C[C@H](OC)C[C@@H]1CC(=O)[O-] ZINC000263196128 135338651 /nfs/dbraw/zinc/33/86/51/135338651.db2.gz YDYGVEXZWJBMSM-RKDXNWHRSA-N -1 0 229.276 0.877 20 0 BCADRM CC1(C)COC[C@@H]1NC(=O)NCCCC(=O)[O-] ZINC000263202781 135339266 /nfs/dbraw/zinc/33/92/66/135339266.db2.gz VIVGVIKDPYEVRM-QMMMGPOBSA-N -1 0 244.291 0.575 20 0 BCADRM Cc1csc(S(=O)(=O)N[C@H](C)C(=O)[O-])c1 ZINC000263220257 135340023 /nfs/dbraw/zinc/34/00/23/135340023.db2.gz QNADSQCRMSQQNR-ZCFIWIBFSA-N -1 0 249.313 0.808 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccn1C ZINC000263210805 135340284 /nfs/dbraw/zinc/34/02/84/135340284.db2.gz LMGPLJUJVFGYRN-ZETCQYMHSA-N -1 0 246.288 0.119 20 0 BCADRM C/C=C/C[C@H](NC(=O)[C@@H]1C[C@H]1OCC)C(=O)[O-] ZINC000263247667 135342509 /nfs/dbraw/zinc/34/25/09/135342509.db2.gz GOLGTTNRDVVZEV-MTFAUPNUSA-N -1 0 241.287 0.947 20 0 BCADRM O=C([O-])c1cnc(C(=O)NCCC2CC2)cn1 ZINC000263281965 135344538 /nfs/dbraw/zinc/34/45/38/135344538.db2.gz OQRNFLYDKWKMGO-UHFFFAOYSA-N -1 0 235.243 0.705 20 0 BCADRM O=C([O-])c1cnc(C(=O)NCC2CCC2)cn1 ZINC000263278244 135344579 /nfs/dbraw/zinc/34/45/79/135344579.db2.gz NVIYQERAJFZGAP-UHFFFAOYSA-N -1 0 235.243 0.705 20 0 BCADRM C[C@@H](C(=O)N(C)[C@H](C)C(=O)[O-])C1CCOCC1 ZINC000263304261 135345100 /nfs/dbraw/zinc/34/51/00/135345100.db2.gz NZYVAZDLIHXYCE-RKDXNWHRSA-N -1 0 243.303 0.981 20 0 BCADRM O=C([O-])CCCNC(=O)NC[C@@H]1CCC=CO1 ZINC000263306613 135346185 /nfs/dbraw/zinc/34/61/85/135346185.db2.gz FJQMRZIIMBQPEP-VIFPVBQESA-N -1 0 242.275 0.843 20 0 BCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@H]2CCCO2)C1 ZINC000263325829 135346339 /nfs/dbraw/zinc/34/63/39/135346339.db2.gz KNDUKBPFRAZKCF-KXUCPTDWSA-N -1 0 241.287 0.735 20 0 BCADRM CO[C@H](C)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263319983 135346849 /nfs/dbraw/zinc/34/68/49/135346849.db2.gz JITDTKSIBWMYPI-HLTSFMKQSA-N -1 0 229.276 0.591 20 0 BCADRM CCN(CC(F)F)C(=O)C1(C(=O)[O-])CC1 ZINC000263329529 135347323 /nfs/dbraw/zinc/34/73/23/135347323.db2.gz LOPNQZUNQKOZBT-UHFFFAOYSA-N -1 0 221.203 0.965 20 0 BCADRM C[C@H]1OCCN(C(=O)NCCC(=O)[O-])[C@H]1C ZINC000263337000 135347501 /nfs/dbraw/zinc/34/75/01/135347501.db2.gz NUTVAGSGGLOAAV-JGVFFNPUSA-N -1 0 230.264 0.280 20 0 BCADRM CC(C)OCCCNC(=O)N(C)CCC(=O)[O-] ZINC000263326201 135347535 /nfs/dbraw/zinc/34/75/35/135347535.db2.gz KOCXOSJQIUDBFC-UHFFFAOYSA-N -1 0 246.307 0.918 20 0 BCADRM C[C@H]1OCCN(C(=O)NCCCC(=O)[O-])[C@H]1C ZINC000263349788 135348243 /nfs/dbraw/zinc/34/82/43/135348243.db2.gz PAMYGPKHICLCLV-DTWKUNHWSA-N -1 0 244.291 0.670 20 0 BCADRM CCOCC1(C(=O)N(CC)CC(=O)[O-])CC1 ZINC000263351384 135348690 /nfs/dbraw/zinc/34/86/90/135348690.db2.gz PSZZQSINEVRWNG-UHFFFAOYSA-N -1 0 229.276 0.736 20 0 BCADRM C[C@@H](NC(=O)[C@@H](O)C1CCCCC1)C(=O)[O-] ZINC000263383367 135350325 /nfs/dbraw/zinc/35/03/25/135350325.db2.gz CDSODIVICXCFHF-APPZFPTMSA-N -1 0 229.276 0.517 20 0 BCADRM CC(C)C[C@H](CO)N(C)C(=O)NCCC(=O)[O-] ZINC000263395583 135350911 /nfs/dbraw/zinc/35/09/11/135350911.db2.gz RELGMQSFWGCPOX-SECBINFHSA-N -1 0 246.307 0.510 20 0 BCADRM O=C([O-])CCNC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000263404658 135351879 /nfs/dbraw/zinc/35/18/79/135351879.db2.gz SUMBTTOZUNHKKF-RKDXNWHRSA-N -1 0 244.291 0.311 20 0 BCADRM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCC[C@@H]2C(=O)[O-])O1 ZINC000263408935 135352004 /nfs/dbraw/zinc/35/20/04/135352004.db2.gz IJUSFDBTOSTPAV-SGIHWFKDSA-N -1 0 241.287 0.876 20 0 BCADRM C[C@@H]1C[C@@H](C)[C@@H](C(=O)N2CCC[C@@H]2C(=O)[O-])O1 ZINC000263408934 135352208 /nfs/dbraw/zinc/35/22/08/135352208.db2.gz IJUSFDBTOSTPAV-KYXWUPHJSA-N -1 0 241.287 0.876 20 0 BCADRM CCCN(CC(=O)[O-])c1ccc2nncn2n1 ZINC000263415995 135352641 /nfs/dbraw/zinc/35/26/41/135352641.db2.gz NXZFZMGRMSFULM-UHFFFAOYSA-N -1 0 235.247 0.425 20 0 BCADRM CC[C@@]1(O)CCN(c2cnc(C(=O)[O-])cn2)C1 ZINC000263420346 135352912 /nfs/dbraw/zinc/35/29/12/135352912.db2.gz PFRMURUSVOICRN-LLVKDONJSA-N -1 0 237.259 0.526 20 0 BCADRM O=C([O-])CCNC(=O)NCC1(O)CCCCC1 ZINC000263430698 135353503 /nfs/dbraw/zinc/35/35/03/135353503.db2.gz YTNKGFVAAIQXPG-UHFFFAOYSA-N -1 0 244.291 0.456 20 0 BCADRM CC[C@@H](C)[C@H](O)CNC(=O)NCCC(=O)[O-] ZINC000263429564 135353540 /nfs/dbraw/zinc/35/35/40/135353540.db2.gz YOGQMJSXKAQXOP-HTQZYQBOSA-N -1 0 232.280 0.167 20 0 BCADRM Cc1nc2ccc(N(C)CCC(=O)[O-])nn2n1 ZINC000263437677 135354511 /nfs/dbraw/zinc/35/45/11/135354511.db2.gz VWGPRONZVWJGJB-UHFFFAOYSA-N -1 0 235.247 0.344 20 0 BCADRM CC[C@@H](OC)C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000263446659 135355133 /nfs/dbraw/zinc/35/51/33/135355133.db2.gz NJMCHWHDBSUPDR-LDYMZIIASA-N -1 0 229.276 0.877 20 0 BCADRM C[C@]1(C(=O)[O-])CCN(c2ncnc3n[nH]cc32)C1 ZINC000263448992 135355166 /nfs/dbraw/zinc/35/51/66/135355166.db2.gz ZRAVFXDLRUUGLA-NSHDSACASA-N -1 0 247.258 0.654 20 0 BCADRM CC[C@@H](OC)C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000263446656 135355373 /nfs/dbraw/zinc/35/53/73/135355373.db2.gz NJMCHWHDBSUPDR-KCJUWKMLSA-N -1 0 229.276 0.877 20 0 BCADRM CC[C@@H](C)OCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000263485763 135356626 /nfs/dbraw/zinc/35/66/26/135356626.db2.gz VMNVUMCXSGVSHS-BDAKNGLRSA-N -1 0 229.276 0.877 20 0 BCADRM CCC[C@H](NS(=O)(=O)C1(C)CC1)C(=O)[O-] ZINC000263477451 135356841 /nfs/dbraw/zinc/35/68/41/135356841.db2.gz JSSNAGFBEJKSAL-ZETCQYMHSA-N -1 0 235.305 0.712 20 0 BCADRM CCC[C@@H](O)CNC(=O)NCCCC(=O)[O-] ZINC000263474821 135356871 /nfs/dbraw/zinc/35/68/71/135356871.db2.gz MGZBXNBCNIKRHA-MRVPVSSYSA-N -1 0 232.280 0.311 20 0 BCADRM 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UAWXBQITFXEGKY-UHFFFAOYSA-N -1 0 232.247 0.403 20 0 BCADRM CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC(=O)[O-] ZINC000572720789 323036386 /nfs/dbraw/zinc/03/63/86/323036386.db2.gz ACAWOSPPVSLFIL-SNVBAGLBSA-N -1 0 242.319 0.842 20 0 BCADRM COC(=O)[C@H](NC(=O)[C@H](C)C(=O)[O-])C(C)C ZINC000165370999 323036779 /nfs/dbraw/zinc/03/67/79/323036779.db2.gz LKUJOVGVVOSBSA-NKWVEPMBSA-N -1 0 231.248 0.021 20 0 BCADRM O=C([O-])c1n[nH]c2c1CN(c1cnccn1)CC2 ZINC000569814572 323041268 /nfs/dbraw/zinc/04/12/68/323041268.db2.gz ZNHKJVJCIFVZJE-UHFFFAOYSA-N -1 0 245.242 0.461 20 0 BCADRM CCO[C@@H]1C[C@@H]1C(=O)NC1(CC(=O)[O-])CC1 ZINC000569977481 323046225 /nfs/dbraw/zinc/04/62/25/323046225.db2.gz OHKSVTYHRSZSGC-JGVFFNPUSA-N -1 0 227.260 0.535 20 0 BCADRM CCO[C@H]1C[C@@H]1C(=O)NC1(CC(=O)[O-])CC1 ZINC000569977485 323046321 /nfs/dbraw/zinc/04/63/21/323046321.db2.gz OHKSVTYHRSZSGC-YUMQZZPRSA-N -1 0 227.260 0.535 20 0 BCADRM C[C@H]1C[C@H]1c1noc(-c2cnc([O-])n(C)c2=O)n1 ZINC000569989044 323046736 /nfs/dbraw/zinc/04/67/36/323046736.db2.gz UWGFHSMEPVHBQT-NTSWFWBYSA-N -1 0 248.242 0.659 20 0 BCADRM C[C@@H](C[C@H]1CCCO1)NC(=O)N(C)CC(=O)[O-] ZINC000573001521 323050291 /nfs/dbraw/zinc/05/02/91/323050291.db2.gz JZHKMTMUSZQIME-DTWKUNHWSA-N -1 0 244.291 0.670 20 0 BCADRM Cc1ccn(C)c(=O)c1NC(=O)CCC(=O)[O-] ZINC000570350775 323057146 /nfs/dbraw/zinc/05/71/46/323057146.db2.gz OOJSKXHOSDODNP-UHFFFAOYSA-N -1 0 238.243 0.497 20 0 BCADRM C/C=C\C[C@H](NC(=O)c1cnccn1)C(=O)[O-] ZINC000570471701 323060422 /nfs/dbraw/zinc/06/04/22/323060422.db2.gz DNSNIYSGNJKSFF-KZUAUGPASA-N -1 0 235.243 0.626 20 0 BCADRM C[C@H](NC(=O)NC[C@@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000160163382 323062524 /nfs/dbraw/zinc/06/25/24/323062524.db2.gz SPKSQARXHKJDBY-YUMQZZPRSA-N -1 0 244.291 0.716 20 0 BCADRM COC(=O)CCCCCNC(=O)[C@@H](C)C(=O)[O-] ZINC000570718064 323068331 /nfs/dbraw/zinc/06/83/31/323068331.db2.gz NOBLIFTUWUTXOI-MRVPVSSYSA-N -1 0 245.275 0.557 20 0 BCADRM O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@H]2CC23CC3)O1 ZINC000562968593 323070165 /nfs/dbraw/zinc/07/01/65/323070165.db2.gz ZBPDUJWZQSZJCQ-RNJXMRFFSA-N -1 0 225.244 0.287 20 0 BCADRM CCO[C@@H](CC)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000572612354 323070666 /nfs/dbraw/zinc/07/06/66/323070666.db2.gz YYEZOUDNMFGYIC-DTWKUNHWSA-N -1 0 229.276 0.781 20 0 BCADRM CC[C@@H](NC(=O)c1ccnn1C(F)F)C(=O)[O-] ZINC000570827579 323071973 /nfs/dbraw/zinc/07/19/73/323071973.db2.gz RUOLHJRDCPEKRK-RXMQYKEDSA-N -1 0 247.201 0.871 20 0 BCADRM Cc1csc(CCCC(=O)NCC(=O)[O-])n1 ZINC000570929758 323074803 /nfs/dbraw/zinc/07/48/03/323074803.db2.gz JXYPTLPUTMTQAK-UHFFFAOYSA-N -1 0 242.300 0.975 20 0 BCADRM COC[C@@H](N=c1nn[n-]n1C)c1ccc(C)o1 ZINC000531433951 323089491 /nfs/dbraw/zinc/08/94/91/323089491.db2.gz DUJMQTDJISXCOO-MRVPVSSYSA-N -1 0 237.263 0.333 20 0 BCADRM C[C@@H](C(=O)[O-])C(=O)N=c1nc[nH]n1C(C)(C)C ZINC000563129749 323094311 /nfs/dbraw/zinc/09/43/11/323094311.db2.gz AIQJJPRMHGQOPT-ZCFIWIBFSA-N -1 0 240.263 0.114 20 0 BCADRM CO[C@H](C)[C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC000563142562 323095331 /nfs/dbraw/zinc/09/53/31/323095331.db2.gz MKENDCGNRFBQNH-DJLDLDEBSA-N -1 0 231.292 0.883 20 0 BCADRM CCC(C)(C)[C@H](NS(=O)(=O)C1CC1)C(=O)[O-] ZINC000563148362 323095489 /nfs/dbraw/zinc/09/54/89/323095489.db2.gz RVPDNLBFMWOEIF-MRVPVSSYSA-N -1 0 249.332 0.958 20 0 BCADRM C[C@H](N(C)C(=O)c1n[nH]c(=O)[n-]1)C1(C)CC1 ZINC000531469945 323097854 /nfs/dbraw/zinc/09/78/54/323097854.db2.gz ZNRKQYXZOPUUHO-LURJTMIESA-N -1 0 224.264 0.771 20 0 BCADRM CC(C)[C@@H](CCO)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC000563210990 323102095 /nfs/dbraw/zinc/10/20/95/323102095.db2.gz MNWZJTOZJGWPNC-NXEZZACHSA-N -1 0 245.319 0.866 20 0 BCADRM CN(C(=O)c1n[nH]c(=O)[n-]1)[C@H]1CC1(C)C ZINC000571021752 323103928 /nfs/dbraw/zinc/10/39/28/323103928.db2.gz XOAMHXIENJYJHO-YFKPBYRVSA-N -1 0 210.237 0.381 20 0 BCADRM CCNC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000571047456 323105373 /nfs/dbraw/zinc/10/53/73/323105373.db2.gz VAKHJDGCOQAUCI-UHFFFAOYSA-N -1 0 244.291 0.672 20 0 BCADRM Cn1[n-]nnc1=NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000531752687 323112486 /nfs/dbraw/zinc/11/24/86/323112486.db2.gz YBLVUQYWMQGPCB-IJLUTSLNSA-N -1 0 241.298 0.630 20 0 BCADRM Cc1c(-c2ccc(=O)n(CC(=O)[O-])c2)cnn1C ZINC000563436781 323125409 /nfs/dbraw/zinc/12/54/09/323125409.db2.gz QCBJNLCQARTYQD-UHFFFAOYSA-N -1 0 247.254 0.642 20 0 BCADRM O=C([O-])[C@H]1C[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000563450602 323126491 /nfs/dbraw/zinc/12/64/91/323126491.db2.gz WGFDXGYBCLFLQJ-IWSPIJDZSA-N -1 0 227.260 0.392 20 0 BCADRM O=C(N[C@H]1CC2CCC1CC2)c1n[nH]c(=O)[n-]1 ZINC000563583722 323130514 /nfs/dbraw/zinc/13/05/14/323130514.db2.gz BGWVGQRYZNYWAC-RRQHEKLDSA-N -1 0 236.275 0.819 20 0 BCADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)C1CCCC1 ZINC000563605366 323131317 /nfs/dbraw/zinc/13/13/17/323131317.db2.gz AYPOPNZADYQFOY-ZCFIWIBFSA-N -1 0 224.264 0.819 20 0 BCADRM C[C@H]1C[C@H](NC(=O)CCCCC(=O)[O-])CO1 ZINC000402052495 323133499 /nfs/dbraw/zinc/13/34/99/323133499.db2.gz PWHZJIGNIOEJKI-IUCAKERBSA-N -1 0 229.276 0.925 20 0 BCADRM CCN(C)C(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000571073485 323134696 /nfs/dbraw/zinc/13/46/96/323134696.db2.gz ZOWPTVMDLREBJQ-SECBINFHSA-N -1 0 240.259 0.937 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cn2c(n1)CCC2 ZINC000571088807 323135415 /nfs/dbraw/zinc/13/54/15/323135415.db2.gz UPIMTHWMHZHARF-SSDOTTSWSA-N -1 0 237.259 0.374 20 0 BCADRM Cc1cnn(CC(=O)NC2(CC(=O)[O-])CC2)c1 ZINC000571215767 323138333 /nfs/dbraw/zinc/13/83/33/323138333.db2.gz HOADYCUOMUFTFU-UHFFFAOYSA-N -1 0 237.259 0.315 20 0 BCADRM C[C@@H](O)CC(C)(C)CNC(=O)c1n[nH]c(=O)[n-]1 ZINC000571245677 323139196 /nfs/dbraw/zinc/13/91/96/323139196.db2.gz VYQNVAQYCYPBHN-ZCFIWIBFSA-N -1 0 242.279 0.037 20 0 BCADRM C[C@@H]1C[C@@H](C(=O)NCC(=O)[O-])C[C@H](C)O1 ZINC000249639530 323139735 /nfs/dbraw/zinc/13/97/35/323139735.db2.gz XOZRDVNPMJODLZ-RNLVFQAGSA-N -1 0 215.249 0.391 20 0 BCADRM CCC[C@@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)OC ZINC000571324759 323141474 /nfs/dbraw/zinc/14/14/74/323141474.db2.gz DKVHTWPWBBMFGE-RNFRBKRXSA-N -1 0 231.248 0.165 20 0 BCADRM CCN(C)C(=O)N[C@H](C)CCC(=O)[O-] ZINC000069838138 323152633 /nfs/dbraw/zinc/15/26/33/323152633.db2.gz YGPZFJUGAYRUFQ-SSDOTTSWSA-N -1 0 202.254 0.901 20 0 BCADRM O=C(Nc1nc2ccccc2[nH]1)c1n[nH]c(=O)[n-]1 ZINC000048722544 323155162 /nfs/dbraw/zinc/15/51/62/323155162.db2.gz BJYLFNZKKBPPDQ-UHFFFAOYSA-N -1 0 244.214 0.227 20 0 BCADRM Cc1cccc(NC(=O)c2n[nH]c(=O)[n-]2)n1 ZINC000048723269 323155173 /nfs/dbraw/zinc/15/51/73/323155173.db2.gz OINNHKISBTUTLR-UHFFFAOYSA-N -1 0 219.204 0.466 20 0 BCADRM Cn1[n-]nnc1=N[C@H]1CCOC2(CCCC2)C1 ZINC000532007204 323166979 /nfs/dbraw/zinc/16/69/79/323166979.db2.gz BEGMOLDTSXNJOH-VIFPVBQESA-N -1 0 237.307 0.536 20 0 BCADRM Cc1cnccc1CCNC(=O)c1n[nH]c(=O)[n-]1 ZINC000535154145 323167115 /nfs/dbraw/zinc/16/71/15/323167115.db2.gz ZZVCXAMPZAWCHJ-UHFFFAOYSA-N -1 0 247.258 0.186 20 0 BCADRM CC(C)(CCC(=O)[O-])NS(C)(=O)=O ZINC000050196122 323167203 /nfs/dbraw/zinc/16/72/03/323167203.db2.gz IGQZPSCMYSXABZ-UHFFFAOYSA-N -1 0 209.267 0.179 20 0 BCADRM C[C@@H]1CCC[C@@H](OCC(=O)Nc2nn[nH]n2)C1 ZINC000112724681 323171797 /nfs/dbraw/zinc/17/17/97/323171797.db2.gz BXXONHLNLWVMGE-HTQZYQBOSA-N -1 0 239.279 0.734 20 0 BCADRM CS[C@@H](C)CNC(=O)[C@@H](C)C(=O)[O-] ZINC000165670900 323176517 /nfs/dbraw/zinc/17/65/17/323176517.db2.gz MAZUWISHXWRYIB-NTSWFWBYSA-N -1 0 205.279 0.575 20 0 BCADRM C[C@@H](NS(=O)(=O)c1ccco1)[C@@H](C)C(=O)[O-] ZINC000563791818 323177946 /nfs/dbraw/zinc/17/79/46/323177946.db2.gz QOVKRWNOIILIKK-RNFRBKRXSA-N -1 0 247.272 0.667 20 0 BCADRM CCS(=O)(=O)N[C@@H](C)CCCCC(=O)[O-] ZINC000308814616 323178842 /nfs/dbraw/zinc/17/88/42/323178842.db2.gz AHDODISPSQORTM-QMMMGPOBSA-N -1 0 237.321 0.959 20 0 BCADRM Cn1[n-]nnc1=NCc1cc2ccccc2[nH]1 ZINC000563829194 323179888 /nfs/dbraw/zinc/17/98/88/323179888.db2.gz YWBAGZZIKCYIKY-UHFFFAOYSA-N -1 0 228.259 0.725 20 0 BCADRM CCC[C@H](C)C[C@@H](NS(C)(=O)=O)C(=O)[O-] ZINC000308857436 323180192 /nfs/dbraw/zinc/18/01/92/323180192.db2.gz QJECGMJMLPQYCY-JGVFFNPUSA-N -1 0 237.321 0.815 20 0 BCADRM CCCCCS(=O)(=O)N[C@H](CC)C(=O)[O-] ZINC000308881458 323180624 /nfs/dbraw/zinc/18/06/24/323180624.db2.gz ULMYWDKZUIGZPF-MRVPVSSYSA-N -1 0 237.321 0.959 20 0 BCADRM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000398505877 323186035 /nfs/dbraw/zinc/18/60/35/323186035.db2.gz KANKEABGHGDWSF-UHFFFAOYSA-N -1 0 233.220 0.480 20 0 BCADRM C[C@@H]1CC[C@H](NC(=O)c2nc(=O)[nH][n-]2)[C@H](C)C1 ZINC000113437005 323189176 /nfs/dbraw/zinc/18/91/76/323189176.db2.gz TVFPPGAYQJRRQS-PRJMDXOYSA-N -1 0 238.291 0.653 20 0 BCADRM C[C@H]1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]1 ZINC000536094586 323195856 /nfs/dbraw/zinc/19/58/56/323195856.db2.gz HQMGFDXNAZYKCR-BQBZGAKWSA-N -1 0 224.264 0.676 20 0 BCADRM O=C(NCC1COC1)c1ccc(F)cc1[O-] ZINC000530117124 323199508 /nfs/dbraw/zinc/19/95/08/323199508.db2.gz TYHUKEZQDXJDDG-UHFFFAOYSA-N -1 0 225.219 0.908 20 0 BCADRM CCOCC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000054294459 323203859 /nfs/dbraw/zinc/20/38/59/323203859.db2.gz RDUCJPOMPQICJS-SECBINFHSA-N -1 0 229.276 0.736 20 0 BCADRM CCOC[C@@H]1CN([C@@H](C(=O)[O-])C2CC2)CCO1 ZINC000530172974 323205229 /nfs/dbraw/zinc/20/52/29/323205229.db2.gz QCTKDJLCRUUNHU-WDEREUQCSA-N -1 0 243.303 0.587 20 0 BCADRM Cc1ccnc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC000530178068 323205533 /nfs/dbraw/zinc/20/55/33/323205533.db2.gz WBRPWLQGXIHXTK-BDAKNGLRSA-N -1 0 237.259 0.463 20 0 BCADRM O=C([O-])C1(CNC(=O)Cc2ccon2)CCC1 ZINC000532262604 323212320 /nfs/dbraw/zinc/21/23/20/323212320.db2.gz AVFGJRVLXXGRFL-UHFFFAOYSA-N -1 0 238.243 0.588 20 0 BCADRM C[C@H](NC(=O)c1cc(-c2ccoc2)n[nH]1)C(=O)[O-] ZINC000532601530 323279512 /nfs/dbraw/zinc/27/95/12/323279512.db2.gz CAOCBUSWJHELNZ-LURJTMIESA-N -1 0 249.226 0.873 20 0 BCADRM CCc1ncncc1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000532677882 323287944 /nfs/dbraw/zinc/28/79/44/323287944.db2.gz VLFLPAPVEPCOJH-ZETCQYMHSA-N -1 0 237.259 0.584 20 0 BCADRM Cn1[n-]nnc1=NCc1ccc2c(c1)COC2 ZINC000532715745 323291858 /nfs/dbraw/zinc/29/18/58/323291858.db2.gz FYLPTLPAPHOEFN-UHFFFAOYSA-N -1 0 231.259 0.274 20 0 BCADRM CC(C)(NS(=O)(=O)c1ccco1)C(=O)[O-] ZINC000563955179 323334520 /nfs/dbraw/zinc/33/45/20/323334520.db2.gz UEIPGGTYYXHUNK-UHFFFAOYSA-N -1 0 233.245 0.421 20 0 BCADRM CC(C)(C(=O)NCCC(=O)[O-])c1cccnc1 ZINC000571680404 323345724 /nfs/dbraw/zinc/34/57/24/323345724.db2.gz XASHXULWNHOPAE-UHFFFAOYSA-N -1 0 236.271 0.950 20 0 BCADRM CCC[C@@H](C)CS(=O)(=O)N1CC(C(=O)[O-])C1 ZINC000309375045 323349348 /nfs/dbraw/zinc/34/93/48/323349348.db2.gz RAGYOZWGYDCGFT-MRVPVSSYSA-N -1 0 249.332 0.769 20 0 BCADRM O=C(NCCc1nc(=O)o[n-]1)c1ccccc1 ZINC000392181808 323374737 /nfs/dbraw/zinc/37/47/37/323374737.db2.gz CJZKRGGOBCYYRJ-UHFFFAOYSA-N -1 0 233.227 0.335 20 0 BCADRM CC[C@H](Sc1ccc2nnnn2n1)C(=O)[O-] ZINC000162512920 323623572 /nfs/dbraw/zinc/62/35/72/323623572.db2.gz GVGVYLHHNMIYBO-YFKPBYRVSA-N -1 0 239.260 0.475 20 0 BCADRM O=C([O-])[C@H]1CCCN1C(=O)N[C@@H]1CCCOC1 ZINC000109550836 487960307 /nfs/dbraw/zinc/96/03/07/487960307.db2.gz URSAFGNKAIJPSF-RKDXNWHRSA-N -1 0 242.275 0.424 20 0 BCADRM Cn1[n-]nnc1=N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000533128444 323852235 /nfs/dbraw/zinc/85/22/35/323852235.db2.gz FEXLXICKDFSVEY-YIZRAAEISA-N -1 0 235.291 0.002 20 0 BCADRM C[C@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)C1CC1 ZINC000537124735 324013519 /nfs/dbraw/zinc/01/35/19/324013519.db2.gz FVBXKEUSWCVYBT-WCBMZHEXSA-N -1 0 249.318 0.952 20 0 BCADRM Cc1cc(C(=O)NCC(C)(C)C(=O)[O-])ncn1 ZINC000537368911 324067572 /nfs/dbraw/zinc/06/75/72/324067572.db2.gz OMYICEXFTZZOQU-UHFFFAOYSA-N -1 0 237.259 0.626 20 0 BCADRM COC(=O)CNC(=O)c1ccc(F)cc1[O-] ZINC000123256032 324103835 /nfs/dbraw/zinc/10/38/35/324103835.db2.gz UHZDSWYBMNBDLL-UHFFFAOYSA-N -1 0 227.191 0.434 20 0 BCADRM O=C([O-])CN(C(=O)N[C@@H]1CCCOC1)C1CC1 ZINC000109551529 487962479 /nfs/dbraw/zinc/96/24/79/487962479.db2.gz IKTYQVOFWRNAJH-MRVPVSSYSA-N -1 0 242.275 0.424 20 0 BCADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccnn1 ZINC000528985520 324229177 /nfs/dbraw/zinc/22/91/77/324229177.db2.gz HGDJJMCXIRONGT-ZETCQYMHSA-N -1 0 243.288 0.335 20 0 BCADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]OCCO ZINC000529062746 324240991 /nfs/dbraw/zinc/24/09/91/324240991.db2.gz JCEJMIOKIUZXRH-BZNPZCIMSA-N -1 0 217.265 0.086 20 0 BCADRM CCC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000529107703 324245520 /nfs/dbraw/zinc/24/55/20/324245520.db2.gz MFXSBOUWCYZXKQ-ZETCQYMHSA-N -1 0 235.305 0.410 20 0 BCADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)[N-]OCC(C)(C)O ZINC000529187899 324257599 /nfs/dbraw/zinc/25/75/99/324257599.db2.gz FBOUSTJLNPBKJP-QEYWKRMJSA-N -1 0 245.319 0.865 20 0 BCADRM O=C(N[C@@H]1C[C@H]1c1ccsc1)c1cc(=O)[nH][n-]1 ZINC000529996513 324450270 /nfs/dbraw/zinc/45/02/70/324450270.db2.gz LPELPUKVJCAXMS-JGVFFNPUSA-N -1 0 249.295 0.596 20 0 BCADRM COCCS(=O)(=O)[N-]c1ncsc1C ZINC000530139940 324494693 /nfs/dbraw/zinc/49/46/93/324494693.db2.gz AKNADFQSQSSRSS-UHFFFAOYSA-N -1 0 236.318 0.840 20 0 BCADRM Cc1nccc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC000530175934 324507396 /nfs/dbraw/zinc/50/73/96/324507396.db2.gz DIZORNVBNPNDMV-APPZFPTMSA-N -1 0 237.259 0.463 20 0 BCADRM Cc1nn(C)c(C)c1CCCN=c1nn[n-]n1C ZINC000539237616 324830134 /nfs/dbraw/zinc/83/01/34/324830134.db2.gz NBOKADYHLWUXRX-UHFFFAOYSA-N -1 0 249.322 0.027 20 0 BCADRM CC(=O)c1ccc(CN=c2nn[n-]n2C)nc1C ZINC000539593325 324847066 /nfs/dbraw/zinc/84/70/66/324847066.db2.gz OYHCEOJAOKBWBP-UHFFFAOYSA-N -1 0 246.274 0.150 20 0 BCADRM CC(C)(C)CS(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC000070712008 325024727 /nfs/dbraw/zinc/02/47/27/325024727.db2.gz PLGGPVHEMKTXLX-UHFFFAOYSA-N -1 0 249.332 0.911 20 0 BCADRM CC(C)OCCCCNC(=O)c1n[nH]c(=O)[n-]1 ZINC000542461759 325028449 /nfs/dbraw/zinc/02/84/49/325028449.db2.gz LYSGXQJEOUTRKX-UHFFFAOYSA-N -1 0 242.279 0.445 20 0 BCADRM C[C@@H]1CC[C@H](CC(=O)NCc2n[nH]c(=O)[n-]2)C1 ZINC000133241956 325278993 /nfs/dbraw/zinc/27/89/93/325278993.db2.gz XTJBLNOICFPQPQ-SFYZADRCSA-N -1 0 238.291 0.541 20 0 BCADRM CCCOCC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000133803470 325321028 /nfs/dbraw/zinc/32/10/28/325321028.db2.gz DIGDCTQMEVLDBJ-NSHDSACASA-N -1 0 229.276 0.783 20 0 BCADRM COC[C@@](C)(NC(=O)C1CC(C)C1)C(=O)[O-] ZINC000133895346 325327837 /nfs/dbraw/zinc/32/78/37/325327837.db2.gz QCRCSLKSLCSKHW-OIAXGBPSSA-N -1 0 229.276 0.638 20 0 BCADRM CN(CC(=O)[O-])C(=O)[C@@H]1CC12CCOCC2 ZINC000237147889 325346219 /nfs/dbraw/zinc/34/62/19/325346219.db2.gz PIVLTRCNYYASOB-QMMMGPOBSA-N -1 0 227.260 0.346 20 0 BCADRM C[C@H]1CCCCN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000547538597 325371203 /nfs/dbraw/zinc/37/12/03/325371203.db2.gz YDQNCJGJWKWQDQ-ZETCQYMHSA-N -1 0 224.264 0.773 20 0 BCADRM CC1(C)CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]2)O1 ZINC000547671837 325382452 /nfs/dbraw/zinc/38/24/52/325382452.db2.gz PZGCVBNTUGRTKX-LURJTMIESA-N -1 0 240.263 0.198 20 0 BCADRM CC[C@H]1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000077632252 325385541 /nfs/dbraw/zinc/38/55/41/325385541.db2.gz SOZYHVCEHFISQO-YUMQZZPRSA-N -1 0 238.291 0.797 20 0 BCADRM C[C@]1(C(=O)[O-])CCCC[C@@H]1NS(C)(=O)=O ZINC000135575430 325418268 /nfs/dbraw/zinc/41/82/68/325418268.db2.gz IOZRMTZLZHUFSY-CBAPKCEASA-N -1 0 235.305 0.569 20 0 BCADRM CCC[C@H](O)[C@@H](NC(=O)N(CC)CC)C(=O)[O-] ZINC000548261984 325443009 /nfs/dbraw/zinc/44/30/09/325443009.db2.gz BRKVDPLWWVDLDX-DTWKUNHWSA-N -1 0 246.307 0.652 20 0 BCADRM COC[C@@H](C)n1ccc([N-]S(C)(=O)=O)n1 ZINC000548289846 325445180 /nfs/dbraw/zinc/44/51/80/325445180.db2.gz XXZMAXRUCBMXOT-SSDOTTSWSA-N -1 0 233.293 0.462 20 0 BCADRM CN(CC1=CCCOC1)C(=O)C(C)(C)C(=O)[O-] ZINC000659190684 487968363 /nfs/dbraw/zinc/96/83/63/487968363.db2.gz BGMSKUFBOFERBA-UHFFFAOYSA-N -1 0 241.287 0.902 20 0 BCADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1CC1 ZINC000083140019 325558825 /nfs/dbraw/zinc/55/88/25/325558825.db2.gz AHYUNKUFXOXEDL-MRVPVSSYSA-N -1 0 235.305 0.521 20 0 BCADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000248432754 325607716 /nfs/dbraw/zinc/60/77/16/325607716.db2.gz CJVBQHXDJLKGEM-VGMNWLOBSA-N -1 0 249.332 0.798 20 0 BCADRM CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)[C@H](C)CC ZINC000248464330 325609062 /nfs/dbraw/zinc/60/90/62/325609062.db2.gz YKMXWRPPPHOYCT-HRDYMLBCSA-N -1 0 249.332 0.656 20 0 BCADRM O=c1[n-]c([C@H]2CCCN(c3cccnn3)C2)n[nH]1 ZINC000553589905 325696547 /nfs/dbraw/zinc/69/65/47/325696547.db2.gz BDFPZGJMHHPKHO-QMMMGPOBSA-N -1 0 246.274 0.684 20 0 BCADRM Cc1sc(N(C)[C@H](C)CO)nc1C(=O)[O-] ZINC000564658237 325801932 /nfs/dbraw/zinc/80/19/32/325801932.db2.gz BVMKAVGJJJIHNF-RXMQYKEDSA-N -1 0 230.289 0.967 20 0 BCADRM Cn1[n-]nnc1=NCc1coc2ccccc12 ZINC000565735059 325950259 /nfs/dbraw/zinc/95/02/59/325950259.db2.gz DXOPNZQSWMRCCA-UHFFFAOYSA-N -1 0 229.243 0.990 20 0 BCADRM CC[C@H](C)CS(=O)(=O)N[C@H](CF)C(=O)[O-] ZINC000565772748 325954986 /nfs/dbraw/zinc/95/49/86/325954986.db2.gz OOWBRAUHACKOCY-NKWVEPMBSA-N -1 0 241.284 0.375 20 0 BCADRM Cc1csc(NC(=O)N[C@H](CF)C(=O)[O-])n1 ZINC000566238558 326021136 /nfs/dbraw/zinc/02/11/36/326021136.db2.gz QGUXPXJQYOFTGO-RXMQYKEDSA-N -1 0 247.251 0.996 20 0 BCADRM CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@H](C)C(=O)[O-] ZINC000566300409 326030817 /nfs/dbraw/zinc/03/08/17/326030817.db2.gz MNHDCFQKKGTNFW-CSMHCCOUSA-N -1 0 245.275 0.411 20 0 BCADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCC[C@H](O)C(C)C ZINC000566302344 326031171 /nfs/dbraw/zinc/03/11/71/326031171.db2.gz VZRMNVPULHGBOW-VHSXEESVSA-N -1 0 245.319 0.866 20 0 BCADRM CC[C@@H](C)CS(=O)(=O)NC1(CC(=O)[O-])CC1 ZINC000566311847 326032788 /nfs/dbraw/zinc/03/27/88/326032788.db2.gz JTTLTYMAVFMWDA-MRVPVSSYSA-N -1 0 249.332 0.959 20 0 BCADRM O=C([O-])c1ccc(CN2CCn3ncnc3C2)o1 ZINC000566358300 326036509 /nfs/dbraw/zinc/03/65/09/326036509.db2.gz HAVFIFFVXVQRAR-UHFFFAOYSA-N -1 0 248.242 0.585 20 0 BCADRM CO[C@H]1C[C@H](C(=O)[O-])N(Cc2cc[nH]n2)C1 ZINC000566363690 326037652 /nfs/dbraw/zinc/03/76/52/326037652.db2.gz RVOWMISDGZMCGB-DTWKUNHWSA-N -1 0 225.248 0.084 20 0 BCADRM Cn1cc([N-]S(=O)(=O)CCC2CC2)nn1 ZINC000566594519 326066476 /nfs/dbraw/zinc/06/64/76/326066476.db2.gz JNJBRUDEOUKOKG-UHFFFAOYSA-N -1 0 230.293 0.357 20 0 BCADRM C/C=C/C[C@H](NS(=O)(=O)CC1CC1)C(=O)[O-] ZINC000566676463 326073173 /nfs/dbraw/zinc/07/31/73/326073173.db2.gz OJEFZVBBTYPJMV-HPOULIHZSA-N -1 0 247.316 0.735 20 0 BCADRM CCc1nnc(CN2CCCC[C@H]2C(=O)[O-])[nH]1 ZINC000566683268 326074158 /nfs/dbraw/zinc/07/41/58/326074158.db2.gz GAYZGVQSYYGNFD-QMMMGPOBSA-N -1 0 238.291 0.806 20 0 BCADRM CCc1cc(=O)[nH]c(CN(C)[C@@H](C)C(=O)[O-])n1 ZINC000566859987 326089258 /nfs/dbraw/zinc/08/92/58/326089258.db2.gz CSZTXGIAAKYKOW-ZETCQYMHSA-N -1 0 239.275 0.650 20 0 BCADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CCOC1)CC1CC1 ZINC000405323199 326111466 /nfs/dbraw/zinc/11/14/66/326111466.db2.gz VVUNOXIZCBFRJJ-VHSXEESVSA-N -1 0 241.287 0.640 20 0 BCADRM CCc1cc(N2CCO[C@@H](C(=O)[O-])C2)cc[nH+]1 ZINC000307776333 326115605 /nfs/dbraw/zinc/11/56/05/326115605.db2.gz HQVYSTFCSBBYGX-LLVKDONJSA-N -1 0 236.271 0.934 20 0 BCADRM O=C([O-])[C@@H](CF)NC(=O)NCC1CCC1 ZINC000567133911 326122417 /nfs/dbraw/zinc/12/24/17/326122417.db2.gz CNJOWTFFKHWQHL-SSDOTTSWSA-N -1 0 218.228 0.508 20 0 BCADRM O=C(N[C@H](C1CC1)C1CCC1)c1n[nH]c(=O)[n-]1 ZINC000567137995 326122680 /nfs/dbraw/zinc/12/26/80/326122680.db2.gz MXAQCGYJAMVCAY-QMMMGPOBSA-N -1 0 236.275 0.819 20 0 BCADRM CCS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000308449059 326133145 /nfs/dbraw/zinc/13/31/45/326133145.db2.gz AQQDSOXDOPVEAT-SCSAIBSYSA-N -1 0 231.220 0.034 20 0 BCADRM CCOC(=O)C(C)(C)NC(=O)CCC(=O)[O-] ZINC000567276497 326154370 /nfs/dbraw/zinc/15/43/70/326154370.db2.gz KVXNMUIBSPCBCW-UHFFFAOYSA-N -1 0 231.248 0.309 20 0 BCADRM C=CCCS(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC000309762663 326167562 /nfs/dbraw/zinc/16/75/62/326167562.db2.gz MWXGQBFQXSNCPL-BDAKNGLRSA-N -1 0 247.316 0.687 20 0 BCADRM Cc1c(CCC(=O)N(C)CC(=O)[O-])cnn1C ZINC000567356250 326173196 /nfs/dbraw/zinc/17/31/96/326173196.db2.gz DDYUONJONOFBIU-UHFFFAOYSA-N -1 0 239.275 0.204 20 0 BCADRM CCO[C@@H](CC)C(=O)NCC1(C(=O)[O-])CC1 ZINC000567680544 326243962 /nfs/dbraw/zinc/24/39/62/326243962.db2.gz KTVNIGPVICCCMI-QMMMGPOBSA-N -1 0 229.276 0.783 20 0 BCADRM C/C=C\C[C@@H](NS(=O)(=O)CCC)C(=O)[O-] ZINC000567809306 326260467 /nfs/dbraw/zinc/26/04/67/326260467.db2.gz PDRNSWRHCSACSA-QIUOEGRZSA-N -1 0 235.305 0.735 20 0 BCADRM C[C@@H](CNC(=O)NCCCC(=O)[O-])C[C@H](C)O ZINC000567807044 326260628 /nfs/dbraw/zinc/26/06/28/326260628.db2.gz UDTWGRPXNGVQSZ-BDAKNGLRSA-N -1 0 246.307 0.557 20 0 BCADRM CC(C)c1n[nH]cc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000567863334 326272831 /nfs/dbraw/zinc/27/28/31/326272831.db2.gz KYQJSIALWDQNPJ-LURJTMIESA-N -1 0 225.248 0.736 20 0 BCADRM COCC1(NC(=O)[C@@H](C)C(=O)[O-])CC1 ZINC000567863368 326272864 /nfs/dbraw/zinc/27/28/64/326272864.db2.gz LYEJHAYGDMWKIC-ZCFIWIBFSA-N -1 0 201.222 0.002 20 0 BCADRM CCN(C)C(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000567886368 326276682 /nfs/dbraw/zinc/27/66/82/326276682.db2.gz MFOBYEZNZBTAOW-CIUDSAMLSA-N -1 0 244.291 0.621 20 0 BCADRM O=C([O-])[C@H](NC(=O)c1cn2c(n1)CCC2)C1CC1 ZINC000567970663 326289341 /nfs/dbraw/zinc/28/93/41/326289341.db2.gz SFUGUWVEYIGJHC-SNVBAGLBSA-N -1 0 249.270 0.422 20 0 BCADRM CO[C@@H](CNC(=O)C1(CF)CCC1)C(=O)[O-] ZINC000567971345 326289850 /nfs/dbraw/zinc/28/98/50/326289850.db2.gz ARZNFKYJDJCOEV-ZETCQYMHSA-N -1 0 233.239 0.342 20 0 BCADRM COC[C@@H]1CCN(C(=O)[C@H](C(=O)[O-])C(C)C)C1 ZINC000567987585 326291616 /nfs/dbraw/zinc/29/16/16/326291616.db2.gz GQHMUGNGWHFTKX-NXEZZACHSA-N -1 0 243.303 0.838 20 0 BCADRM CC[C@](C)(NC(=O)CCC(=O)[O-])C(=O)OC ZINC000567989053 326292124 /nfs/dbraw/zinc/29/21/24/326292124.db2.gz XCYMDMPLMVJRDR-JTQLQIEISA-N -1 0 231.248 0.309 20 0 BCADRM CSC[C@@H]1CCCN1C(=O)c1nc(=O)[nH][n-]1 ZINC000157757962 326294576 /nfs/dbraw/zinc/29/45/76/326294576.db2.gz QVYSSCZKCOCHKO-LURJTMIESA-N -1 0 242.304 0.066 20 0 BCADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(Cc2cnns2)C1 ZINC000568067280 326302519 /nfs/dbraw/zinc/30/25/19/326302519.db2.gz QSBPELDNBFHAQV-SVRRBLITSA-N -1 0 243.288 0.212 20 0 BCADRM CCc1nnc(CN(C)C(C)(C)C(=O)[O-])n1C ZINC000568067067 326302905 /nfs/dbraw/zinc/30/29/05/326302905.db2.gz LGVQUSLYSRVGRZ-UHFFFAOYSA-N -1 0 240.307 0.673 20 0 BCADRM Cc1nn(C(C)C)cc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000568234521 326331408 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BCADRM C[C@@H](NC(=O)[O-])C(=O)OCCOC1CCC1 ZINC000825193616 587309285 /nfs/dbraw/zinc/30/92/85/587309285.db2.gz KFGYOEUUNBVXFU-SSDOTTSWSA-N -1 0 231.248 0.755 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)OCCOCC1CC1 ZINC000825196185 587309409 /nfs/dbraw/zinc/30/94/09/587309409.db2.gz ZIXHGKCNEOMVJA-SSDOTTSWSA-N -1 0 231.248 0.612 20 0 BCADRM CC(C)CO[N-]C(=O)[C@@H](NC=O)C(C)C ZINC000860343876 589095120 /nfs/dbraw/zinc/09/51/20/589095120.db2.gz DWTLHDFLRQJTFO-VIFPVBQESA-N -1 0 216.281 0.461 20 0 BCADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2CC2)CCO1 ZINC000825294917 587313369 /nfs/dbraw/zinc/31/33/69/587313369.db2.gz PWOVKZNCDPAEIN-APPZFPTMSA-N -1 0 242.275 0.280 20 0 BCADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CCCF)CCO1 ZINC000825349717 587316298 /nfs/dbraw/zinc/31/62/98/587316298.db2.gz DYWHVDXRUWTECX-BDAKNGLRSA-N -1 0 234.271 0.703 20 0 BCADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CCCCO)CCO1 ZINC000825349243 587316634 /nfs/dbraw/zinc/31/66/34/587316634.db2.gz AKJXOCSBZTYAJQ-UWVGGRQHSA-N -1 0 246.307 0.116 20 0 BCADRM C[C@@H](O)CC(C)(C)CNC(=O)CN(C)C(=O)[O-] ZINC000825516342 587322375 /nfs/dbraw/zinc/32/23/75/587322375.db2.gz VWIWUMPHAAOQKD-MRVPVSSYSA-N -1 0 246.307 0.510 20 0 BCADRM C[C@H](O)CN(C)C(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000825520551 587322527 /nfs/dbraw/zinc/32/25/27/587322527.db2.gz BDIIGBZMDKTMRU-DJLDLDEBSA-N -1 0 244.291 0.262 20 0 BCADRM C[C@@H](O)CCN(C)C(=O)NCCN(C)C(=O)[O-] ZINC000825520628 587322661 /nfs/dbraw/zinc/32/26/61/587322661.db2.gz CGEAWAQKYSTLDL-MRVPVSSYSA-N -1 0 247.295 0.009 20 0 BCADRM C[C@@H](O)CC(C)(C)CNC(=O)[C@@H](C)NC(=O)[O-] ZINC000825516138 587322818 /nfs/dbraw/zinc/32/28/18/587322818.db2.gz UAUBZKAYOFGBSW-HTQZYQBOSA-N -1 0 246.307 0.556 20 0 BCADRM C[C@H](O)CN(C)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000825521910 587322967 /nfs/dbraw/zinc/32/29/67/587322967.db2.gz UPJIVGJJPBERJM-CIUDSAMLSA-N -1 0 244.291 0.262 20 0 BCADRM C[C@H](O)CCN(C)C(=O)C1(NC(=O)[O-])CC1 ZINC000825523087 587322994 /nfs/dbraw/zinc/32/29/94/587322994.db2.gz ZQPZJTQNACWTRL-ZETCQYMHSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@H](O)CCN(C)C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000825520900 587323078 /nfs/dbraw/zinc/32/30/78/587323078.db2.gz IFQQMLUXUCMSGF-IUCAKERBSA-N -1 0 244.291 0.358 20 0 BCADRM C[C@@H](O)CCN(C)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000825522424 587323188 /nfs/dbraw/zinc/32/31/88/587323188.db2.gz WQWXHTFMYMUSLF-BDAKNGLRSA-N -1 0 244.291 0.216 20 0 BCADRM C[C@@H](C(=O)N(C)c1nnn[n-]1)c1cccc(O)c1 ZINC000825531999 587323709 /nfs/dbraw/zinc/32/37/09/587323709.db2.gz QOLWTVRTSUEAHA-SSDOTTSWSA-N -1 0 247.258 0.672 20 0 BCADRM C[C@@H](O)CNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000825529107 587323761 /nfs/dbraw/zinc/32/37/61/587323761.db2.gz ZAALSCRXMLHFDC-HTQZYQBOSA-N -1 0 230.264 0.016 20 0 BCADRM CN(C(=O)c1cnn(C2CCC2)c1)c1nnn[n-]1 ZINC000825530074 587323885 /nfs/dbraw/zinc/32/38/85/587323885.db2.gz BHSDNKOTHZAWHI-UHFFFAOYSA-N -1 0 247.262 0.398 20 0 BCADRM C[C@@H](OC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C(N)=O ZINC000825598552 587326606 /nfs/dbraw/zinc/32/66/06/587326606.db2.gz NNQXEGKAZISIDV-PHDIDXHHSA-N -1 0 246.263 0.086 20 0 BCADRM C=CC(=O)NCCC(=O)N[C@](C)(CC)C(=O)[O-] ZINC000825653240 587328925 /nfs/dbraw/zinc/32/89/25/587328925.db2.gz FZIZENVUYYFFSC-LLVKDONJSA-N -1 0 242.275 0.048 20 0 BCADRM C=CC(=O)NCCC(=O)N[C@@](C)(CC)C(=O)[O-] ZINC000825653241 587329196 /nfs/dbraw/zinc/32/91/96/587329196.db2.gz FZIZENVUYYFFSC-NSHDSACASA-N -1 0 242.275 0.048 20 0 BCADRM C[C@]1(C(=O)NCC2CC2)CCN(C(=O)[O-])C1 ZINC000825662693 587329856 /nfs/dbraw/zinc/32/98/56/587329856.db2.gz HDFNJVTXDOXAEQ-NSHDSACASA-N -1 0 226.276 0.903 20 0 BCADRM C[C@@]1(C(=O)O[C@H]2CCOC2)CCN(C(=O)[O-])C1 ZINC000825685011 587331961 /nfs/dbraw/zinc/33/19/61/587331961.db2.gz OWDSTFYOBIYABG-GZMMTYOYSA-N -1 0 243.259 0.709 20 0 BCADRM C[C@@]1(C(=O)O[C@@H]2CCOC2)CCN(C(=O)[O-])C1 ZINC000825685014 587332253 /nfs/dbraw/zinc/33/22/53/587332253.db2.gz OWDSTFYOBIYABG-LDYMZIIASA-N -1 0 243.259 0.709 20 0 BCADRM C/C(=C/C(=O)N1CCOC[C@@H]1C(=O)[O-])C1CC1 ZINC000825716266 587333442 /nfs/dbraw/zinc/33/34/42/587333442.db2.gz AZAHSJJEAVQYSG-BJPMOSCESA-N -1 0 239.271 0.655 20 0 BCADRM C/C(=C/C(=O)N[C@@]1(C(=O)[O-])CCOC1)C1CC1 ZINC000825716474 587333834 /nfs/dbraw/zinc/33/38/34/587333834.db2.gz HKTKFKMCWCZDJN-VFFGBVLKSA-N -1 0 239.271 0.703 20 0 BCADRM C/C(=C\CN(C)Cc1cc[nH]n1)C(=O)[O-] ZINC000825729977 587333937 /nfs/dbraw/zinc/33/39/37/587333937.db2.gz OTQFOUHTVKDJGB-XBXARRHUSA-N -1 0 209.249 0.872 20 0 BCADRM C/C(=C/CN(C)Cc1nc[nH]n1)C(=O)[O-] ZINC000825730616 587334174 /nfs/dbraw/zinc/33/41/74/587334174.db2.gz ZIBGQDCJTWAHJW-CLTKARDFSA-N -1 0 210.237 0.267 20 0 BCADRM C/C(=C\CN(C)CC(=O)NC(C)(C)C)C(=O)[O-] ZINC000825730021 587334211 /nfs/dbraw/zinc/33/42/11/587334211.db2.gz QAMHQZJRKVKPMT-RMKNXTFCSA-N -1 0 242.319 0.864 20 0 BCADRM C/C(=C\CN1CCN(CC(F)F)CC1)C(=O)[O-] ZINC000825740891 587335981 /nfs/dbraw/zinc/33/59/81/587335981.db2.gz DHLCAMKLKLCHGN-XNWCZRBMSA-N -1 0 248.273 0.900 20 0 BCADRM C/C(=C/CN1CCc2cncnc2C1)C(=O)[O-] ZINC000825746163 587336267 /nfs/dbraw/zinc/33/62/67/587336267.db2.gz FUSMNPKYXURJBL-MBXJOHMKSA-N -1 0 233.271 0.866 20 0 BCADRM C/C(=C/CN1CCn2c(C)nnc2C1)C(=O)[O-] ZINC000825746986 587336533 /nfs/dbraw/zinc/33/65/33/587336533.db2.gz NMUQNMVDGMIKIY-BAQGIRSFSA-N -1 0 236.275 0.433 20 0 BCADRM C/C(=C\CN1CC[S@](=O)[C@H](C)[C@H]1C)C(=O)[O-] ZINC000825747105 587336622 /nfs/dbraw/zinc/33/66/22/587336622.db2.gz PDGRHVBIPHWZEI-BPSSJXIFSA-N -1 0 245.344 0.859 20 0 BCADRM CC1(CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000825749639 587336738 /nfs/dbraw/zinc/33/67/38/587336738.db2.gz OJHVYOFMORYVSF-MRVPVSSYSA-N -1 0 241.291 0.838 20 0 BCADRM C/C(=C/COC(=O)[C@@H]1CCC[C@H]1O)C(=O)[O-] ZINC000825751707 587336828 /nfs/dbraw/zinc/33/68/28/587336828.db2.gz BSEVXMXRRNPQFD-XOPPAYCJSA-N -1 0 228.244 0.722 20 0 BCADRM C/C(=C/COC(=O)[C@H]1CCC(=O)NC1)C(=O)[O-] ZINC000825751776 587336842 /nfs/dbraw/zinc/33/68/42/587336842.db2.gz CJIQDLYYPCAEFG-NZGHECTNSA-N -1 0 241.243 0.087 20 0 BCADRM C[C@@]1(CNC(=O)CNC(=O)[O-])CCCS1 ZINC000825749735 587336925 /nfs/dbraw/zinc/33/69/25/587336925.db2.gz PRBUNKLSSGSPCY-VIFPVBQESA-N -1 0 232.305 0.656 20 0 BCADRM C/C(=C/COC(=O)[C@@H]1CCCOC1)C(=O)[O-] ZINC000825752119 587337098 /nfs/dbraw/zinc/33/70/98/587337098.db2.gz IYJUVOOHIDWWOT-USYJTPIQSA-N -1 0 228.244 0.987 20 0 BCADRM C/C(=C\COC(=O)C1=COCCO1)C(=O)[O-] ZINC000825752967 587337179 /nfs/dbraw/zinc/33/71/79/587337179.db2.gz PQUWXLSDTQODBF-FARCUNLSSA-N -1 0 228.200 0.449 20 0 BCADRM C/C(=C/COC(=O)[C@H]1CCOC1)C(=O)[O-] ZINC000825759220 587337911 /nfs/dbraw/zinc/33/79/11/587337911.db2.gz YOSNVENUQBVOEO-CDETVPHDSA-N -1 0 214.217 0.597 20 0 BCADRM C/C(=C/COC(=O)C[C@@H]1CCOC1)C(=O)[O-] ZINC000825759031 587338010 /nfs/dbraw/zinc/33/80/10/587338010.db2.gz VGFJJPPUJUWAPG-JWNFGPPVSA-N -1 0 228.244 0.987 20 0 BCADRM C/C(=C/COC(=O)CCc1nnc[nH]1)C(=O)[O-] ZINC000825764219 587338056 /nfs/dbraw/zinc/33/80/56/587338056.db2.gz DBDVJISEJXMKJJ-DAXSKMNVSA-N -1 0 239.231 0.311 20 0 BCADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1CCNC(=O)[O-] ZINC000825778714 587338454 /nfs/dbraw/zinc/33/84/54/587338454.db2.gz RXLBBLLACWOQAP-KDZIRCDLSA-N -1 0 234.321 0.095 20 0 BCADRM C/C(=C/COC(=O)c1cc[n+]([O-])cc1)C(=O)[O-] ZINC000825774449 587338458 /nfs/dbraw/zinc/33/84/58/587338458.db2.gz FEHIACHQKSPCTD-YWEYNIOJSA-N -1 0 237.211 0.508 20 0 BCADRM C/C(=C\COC(=O)c1cc(C)n(C)n1)C(=O)[O-] ZINC000825769507 587338487 /nfs/dbraw/zinc/33/84/87/587338487.db2.gz RKHIQEJNRWLCKM-QPJJXVBHSA-N -1 0 238.243 0.916 20 0 BCADRM C/C(=C/COC(=O)Cc1cnn(C)c1)C(=O)[O-] ZINC000825769850 587338579 /nfs/dbraw/zinc/33/85/79/587338579.db2.gz SPLGDPLVUWMEQH-BAQGIRSFSA-N -1 0 238.243 0.537 20 0 BCADRM CC1CC(C(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000825783585 587338963 /nfs/dbraw/zinc/33/89/63/587338963.db2.gz KGNKGFVQZBIAMY-HACHORDNSA-N -1 0 226.276 0.901 20 0 BCADRM CC1CC(C(=O)NCCN(C)C(=O)[O-])C1 ZINC000825783103 587339003 /nfs/dbraw/zinc/33/90/03/587339003.db2.gz BRYNFBOXPYDBRQ-UHFFFAOYSA-N -1 0 214.265 0.759 20 0 BCADRM CC1CC(NC(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000825789501 587339108 /nfs/dbraw/zinc/33/91/08/587339108.db2.gz OKUXRADWSUIOMT-MGURRDGZSA-N -1 0 226.276 0.901 20 0 BCADRM C/C(=C/COC(=O)c1cnccn1)C(=O)[O-] ZINC000825787217 587339109 /nfs/dbraw/zinc/33/91/09/587339109.db2.gz YPQJZLTWPVDQJB-UQCOIBPSSA-N -1 0 222.200 0.664 20 0 BCADRM CC1CC(NC(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000825790172 587339379 /nfs/dbraw/zinc/33/93/79/587339379.db2.gz UBCAVUAOZRJPRL-KAVNDROISA-N -1 0 244.316 0.954 20 0 BCADRM C/C(=C\COC(=O)c1ccnn1C)C(=O)[O-] ZINC000825786123 587339434 /nfs/dbraw/zinc/33/94/34/587339434.db2.gz GAOVKZMROFGATA-QPJJXVBHSA-N -1 0 224.216 0.608 20 0 BCADRM CC(=O)[C@@H](C)OC(=O)[C@@H](C)CC(=O)[O-] ZINC000825809282 587340353 /nfs/dbraw/zinc/34/03/53/587340353.db2.gz RGXNPRKPGZWMOH-CAHLUQPWSA-N -1 0 202.206 0.618 20 0 BCADRM CC1CC(NC(=O)NCCNC(=O)[O-])C1 ZINC000825794773 587339873 /nfs/dbraw/zinc/33/98/73/587339873.db2.gz PSDFULZKQLGIBF-UHFFFAOYSA-N -1 0 215.253 0.352 20 0 BCADRM C[C@H]1C[C@@H](NC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825794254 587339896 /nfs/dbraw/zinc/33/98/96/587339896.db2.gz ICXMGPDAORPCBU-POYBYMJQSA-N -1 0 238.247 0.182 20 0 BCADRM CC(=O)[C@H](C)CCCCC(=O)NCC(=O)[O-] ZINC000825809039 587340090 /nfs/dbraw/zinc/34/00/90/587340090.db2.gz KTPCFBJOUQSNBS-MRVPVSSYSA-N -1 0 229.276 0.973 20 0 BCADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)N(C)C ZINC000825815937 587340178 /nfs/dbraw/zinc/34/01/78/587340178.db2.gz GJZPLOHSMWLYLR-JGVFFNPUSA-N -1 0 229.280 0.789 20 0 BCADRM CC(=O)[C@@H](C)CCCCC(=O)NCC(=O)[O-] ZINC000825809040 587340357 /nfs/dbraw/zinc/34/03/57/587340357.db2.gz KTPCFBJOUQSNBS-QMMMGPOBSA-N -1 0 229.276 0.973 20 0 BCADRM CC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-] ZINC000825813076 587340450 /nfs/dbraw/zinc/34/04/50/587340450.db2.gz CXZBBZGQNMTUNV-QMMMGPOBSA-N -1 0 203.238 0.343 20 0 BCADRM C[C@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000825853294 587340590 /nfs/dbraw/zinc/34/05/90/587340590.db2.gz WKBMMNRGMKTVGV-XLPZGREQSA-N -1 0 212.249 0.511 20 0 BCADRM C[C@H]1C[C@H]1C(=O)OC1(C)CN(C(=O)[O-])C1 ZINC000825851470 587340988 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C[C@@H]1C[C@H]1NC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000825860502 587342201 /nfs/dbraw/zinc/34/22/01/587342201.db2.gz KDZDYRNVZVNZKY-XSSZXYGBSA-N -1 0 230.239 0.603 20 0 BCADRM C[C@H]1C[C@H]1CNC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000825859309 587342273 /nfs/dbraw/zinc/34/22/73/587342273.db2.gz FEWGNOOJWAZSSN-CIUDSAMLSA-N -1 0 241.291 0.694 20 0 BCADRM C[C@H]1C[C@@H]1CNC(=O)COC1CN(C(=O)[O-])C1 ZINC000825861016 587342401 /nfs/dbraw/zinc/34/24/01/587342401.db2.gz NFYKDIPHOHVJTA-JGVFFNPUSA-N -1 0 242.275 0.137 20 0 BCADRM C[C@H]1CC[C@H](C)N1C(=O)COCCNC(=O)[O-] ZINC000825864955 587342541 /nfs/dbraw/zinc/34/25/41/587342541.db2.gz CIPZTPVWLWKNOI-IUCAKERBSA-N -1 0 244.291 0.670 20 0 BCADRM C[C@H]1CC[C@H](C(=O)OCCNC(=O)[O-])O1 ZINC000825868039 587343043 /nfs/dbraw/zinc/34/30/43/587343043.db2.gz YXOCKWLTFHKTRH-NKWVEPMBSA-N -1 0 217.221 0.365 20 0 BCADRM C[C@@H]1CCCC[C@H]1NC(=O)CONC(=O)[O-] ZINC000825894422 587344274 /nfs/dbraw/zinc/34/42/74/587344274.db2.gz HHDQGUXBVODBRY-HTQZYQBOSA-N -1 0 230.264 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CCC[C@H](C)OC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000826736987 587360709 /nfs/dbraw/zinc/36/07/09/587360709.db2.gz ZFYXXYWGOXVKPC-DJLDLDEBSA-N -1 0 245.275 0.831 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)N(C)c1cn[nH]c1 ZINC000826742409 587360871 /nfs/dbraw/zinc/36/08/71/587360871.db2.gz AEVDJAHJPXSWQT-QMMMGPOBSA-N -1 0 240.263 0.809 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)N(C)CC[C@H](C)O ZINC000826743708 587360943 /nfs/dbraw/zinc/36/09/43/587360943.db2.gz LJSSVCGESVLKIV-IUCAKERBSA-N -1 0 246.307 0.652 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NCC(C)(C)OC ZINC000826751160 587361105 /nfs/dbraw/zinc/36/11/05/587361105.db2.gz NBEYNGRYHLKASH-MRVPVSSYSA-N -1 0 246.307 0.964 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NCC(C)(C)O ZINC000826750115 587361153 /nfs/dbraw/zinc/36/11/53/587361153.db2.gz GSINOWLLKYQLDB-ZETCQYMHSA-N -1 0 232.280 0.310 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@@H](C)C(C)(C)O ZINC000826752583 587361209 /nfs/dbraw/zinc/36/12/09/587361209.db2.gz XLNCIEOMBFGJKS-YUMQZZPRSA-N -1 0 246.307 0.698 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](O)C1 ZINC000826750070 587361223 /nfs/dbraw/zinc/36/12/23/587361223.db2.gz GENVSUVBIULQNY-HTQZYQBOSA-N -1 0 230.264 0.016 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NCC1(CO)CC1 ZINC000826752637 587361263 /nfs/dbraw/zinc/36/12/63/587361263.db2.gz YOGOXSJBOBTJIB-QMMMGPOBSA-N -1 0 244.291 0.311 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NCc1c[nH]cn1 ZINC000826757976 587361274 /nfs/dbraw/zinc/36/12/74/587361274.db2.gz JXXMVGBDLRWWPA-MRVPVSSYSA-N -1 0 240.263 0.462 20 0 BCADRM CCC[C@@H](O)CNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000826764881 587361609 /nfs/dbraw/zinc/36/16/09/587361609.db2.gz LVZMEGMRXBFNDY-DTWKUNHWSA-N -1 0 246.307 0.510 20 0 BCADRM CCC[C@@H]1C[C@H]1NC(=O)[C@@H](C)NC(=O)[O-] ZINC000826769362 587361616 /nfs/dbraw/zinc/36/16/16/587361616.db2.gz QWLGHZGCUDSQKV-BWZBUEFSSA-N -1 0 214.265 0.947 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)OCCC(=O)NC ZINC000826765170 587361708 /nfs/dbraw/zinc/36/17/08/587361708.db2.gz NYMBEOBQXWUCNB-SSDOTTSWSA-N -1 0 246.263 0.102 20 0 BCADRM CCC[C@H]1C[C@H]1NC(=O)CNC(=O)[O-] ZINC000826774921 587361880 /nfs/dbraw/zinc/36/18/80/587361880.db2.gz LNPGNFTVCHCCTD-NKWVEPMBSA-N -1 0 200.238 0.559 20 0 BCADRM CCC[C@H]1C[C@H]1NC(=O)CCNC(=O)[O-] ZINC000826774860 587361910 /nfs/dbraw/zinc/36/19/10/587361910.db2.gz KRATZIWDDKIUCB-JGVFFNPUSA-N -1 0 214.265 0.949 20 0 BCADRM CCC[C@@H]1C[C@@H]1NC(=O)COCCNC(=O)[O-] ZINC000826774977 587362047 /nfs/dbraw/zinc/36/20/47/587362047.db2.gz MSNACSVXCWLNOM-BDAKNGLRSA-N -1 0 244.291 0.575 20 0 BCADRM CCC[C@@H]1C[C@H]1NC(=O)CN(C)C(=O)[O-] ZINC000826775053 587362197 /nfs/dbraw/zinc/36/21/97/587362197.db2.gz NVXXQZFAOYOCOQ-HTQZYQBOSA-N -1 0 214.265 0.901 20 0 BCADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)C(N)=O ZINC000826806727 587363002 /nfs/dbraw/zinc/36/30/02/587363002.db2.gz IEYOASYNCRKVTO-NKWVEPMBSA-N -1 0 246.263 0.086 20 0 BCADRM CCCCCNC(=O)COC1CN(C(=O)[O-])C1 ZINC000826825458 587363462 /nfs/dbraw/zinc/36/34/62/587363462.db2.gz DIXMCZYKUYEALM-UHFFFAOYSA-N -1 0 244.291 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BCADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccn(C)n1 ZINC000828645871 587455560 /nfs/dbraw/zinc/45/55/60/587455560.db2.gz ZQKLFHUKHJJNDA-NSHDSACASA-N -1 0 239.275 0.793 20 0 BCADRM CC[C@](C)(NC(=O)[C@@H](C)CC(=O)OC)C(=O)[O-] ZINC000828685824 587457263 /nfs/dbraw/zinc/45/72/63/587457263.db2.gz RVNMCHLSMUVMOV-CPCISQLKSA-N -1 0 245.275 0.555 20 0 BCADRM COC(=O)COC(=O)CN(CC1CC1)C(=O)[O-] ZINC000828689675 587457458 /nfs/dbraw/zinc/45/74/58/587457458.db2.gz VZAQOEIRMZPGMB-UHFFFAOYSA-N -1 0 245.231 0.093 20 0 BCADRM CC[C@H](C)NC(=O)COC(=O)[C@H](C)CC(=O)[O-] ZINC000828758703 587459020 /nfs/dbraw/zinc/45/90/20/587459020.db2.gz NPVBOYBGJZQOTL-SFYZADRCSA-N -1 0 245.275 0.555 20 0 BCADRM CC[C@H](C)[C@H](O)CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000828735587 587459494 /nfs/dbraw/zinc/45/94/94/587459494.db2.gz CFGYEJKXLJEMDW-RBXMUDONSA-N -1 0 229.276 0.230 20 0 BCADRM CC[C@H](C)[C@@H](O)C(=O)OC/C=C(/C)C(=O)[O-] ZINC000828738718 587459582 /nfs/dbraw/zinc/45/95/82/587459582.db2.gz OLSXRNAKGAPPSH-YJMLGRAPSA-N -1 0 230.260 0.968 20 0 BCADRM CC[C@H](C)N(OC)C(=O)CN(C)C(=O)[O-] ZINC000828753782 587460135 /nfs/dbraw/zinc/46/01/35/587460135.db2.gz WMKZGKHZIKVZLY-ZETCQYMHSA-N -1 0 218.253 0.785 20 0 BCADRM CC[C@@H](C[C@H](C)CO)NC(=O)CN(C)C(=O)[O-] ZINC000828770552 587461472 /nfs/dbraw/zinc/46/14/72/587461472.db2.gz RKBSADOYRNIVND-IUCAKERBSA-N -1 0 246.307 0.510 20 0 BCADRM CCC(CC)(NC(=O)C(=O)NC1CC1)C(=O)[O-] ZINC000828820395 587464071 /nfs/dbraw/zinc/46/40/71/587464071.db2.gz IOQJOYRVWSALLX-UHFFFAOYSA-N -1 0 242.275 0.025 20 0 BCADRM CO[C@H](C)CCOC(=O)CN(C)C(=O)[O-] ZINC000828823601 587464422 /nfs/dbraw/zinc/46/44/22/587464422.db2.gz DSJGARDUPDCNBG-SSDOTTSWSA-N -1 0 219.237 0.564 20 0 BCADRM CO[C@@H](C)COC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828825363 587464845 /nfs/dbraw/zinc/46/48/45/587464845.db2.gz ZYFFZJCMIYQFMC-XVKPBYJWSA-N -1 0 249.238 0.657 20 0 BCADRM CO[C@H](C)CCNC(=O)C[C@H](C)NC(=O)[O-] ZINC000828823984 587464876 /nfs/dbraw/zinc/46/48/76/587464876.db2.gz MDWDBPBEVAUBAW-JGVFFNPUSA-N -1 0 232.280 0.574 20 0 BCADRM CO[C@H](CNC(=O)[C@H](C)NC(=O)[O-])C(C)C ZINC000828837286 587465071 /nfs/dbraw/zinc/46/50/71/587465071.db2.gz WSDQLKZUFVAWRQ-JGVFFNPUSA-N -1 0 232.280 0.430 20 0 BCADRM CO[C@H](CNC(=O)NCCNC(=O)[O-])C(C)C ZINC000828845171 587466114 /nfs/dbraw/zinc/46/61/14/587466114.db2.gz ZRUHURLNDGONAH-MRVPVSSYSA-N -1 0 247.295 0.224 20 0 BCADRM CC[C@H](CCO)NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000828879357 587468115 /nfs/dbraw/zinc/46/81/15/587468115.db2.gz LHJPWBFNBJDSPK-BDAKNGLRSA-N -1 0 246.307 0.556 20 0 BCADRM COC1CN(C(=O)C(C)(C)CNC(=O)[O-])C1 ZINC000828880240 587468274 /nfs/dbraw/zinc/46/82/74/587468274.db2.gz HLFUCDINTFEEDT-UHFFFAOYSA-N -1 0 230.264 0.137 20 0 BCADRM COC[C@H](C)C(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828896222 587469213 /nfs/dbraw/zinc/46/92/13/587469213.db2.gz HLOWZUUUZNVAJT-IUCAKERBSA-N -1 0 244.291 0.480 20 0 BCADRM COC[C@H](C)[N@@H+]1CCN(C(=O)[O-])[C@H](C)C1 ZINC000828896830 587469407 /nfs/dbraw/zinc/46/94/07/587469407.db2.gz LYHZXNISVNFHML-BDAKNGLRSA-N 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244.291 0.528 20 0 BCADRM COCC[C@H](C)NC(=O)C[C@H](C)NC(=O)[O-] ZINC000828934332 587473279 /nfs/dbraw/zinc/47/32/79/587473279.db2.gz NWCSUEQTZNBFAL-YUMQZZPRSA-N -1 0 232.280 0.574 20 0 BCADRM COCC[C@@H](C)NC(=O)C(C)(C)CNC(=O)[O-] ZINC000828934841 587473304 /nfs/dbraw/zinc/47/33/04/587473304.db2.gz XXDUSAVFWXJOJN-MRVPVSSYSA-N -1 0 246.307 0.821 20 0 BCADRM COCCC(C)(C)NC(=O)[C@H](C)NC(=O)[O-] ZINC000828934259 587473376 /nfs/dbraw/zinc/47/33/76/587473376.db2.gz MMXUIPCEWSXCKZ-ZETCQYMHSA-N -1 0 232.280 0.574 20 0 BCADRM COCCCC(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828945402 587473997 /nfs/dbraw/zinc/47/39/97/587473997.db2.gz QRTOAQAJSAEPLZ-SECBINFHSA-N -1 0 244.291 0.624 20 0 BCADRM COCCCNC(=O)C(C)(C)CNC(=O)[O-] ZINC000828949895 587474228 /nfs/dbraw/zinc/47/42/28/587474228.db2.gz AOBXBTVJBXXLNE-UHFFFAOYSA-N -1 0 232.280 0.433 20 0 BCADRM COCCCCNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828944714 587474150 /nfs/dbraw/zinc/47/41/50/587474150.db2.gz FLGKCBYJMXUGCU-SECBINFHSA-N -1 0 246.307 0.775 20 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COCCOC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828995527 587478211 /nfs/dbraw/zinc/47/82/11/587478211.db2.gz JSKGXJYXNRJVCZ-SNVBAGLBSA-N -1 0 231.248 0.566 20 0 BCADRM CC[C@H](O)CCCNC(=O)[C@H](C)CC(=O)[O-] ZINC000828998652 587478395 /nfs/dbraw/zinc/47/83/95/587478395.db2.gz DJWUPCBWLOYEFN-BDAKNGLRSA-N -1 0 231.292 0.765 20 0 BCADRM CCC(O)(CC)CNC(=O)[C@H](C)CC(=O)[O-] ZINC000828999235 587478406 /nfs/dbraw/zinc/47/84/06/587478406.db2.gz VMOQUEIVPIXMFE-MRVPVSSYSA-N -1 0 231.292 0.765 20 0 BCADRM COCCOC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828996070 587478539 /nfs/dbraw/zinc/47/85/39/587478539.db2.gz OREBUSLOBMKKLQ-SSDOTTSWSA-N -1 0 219.237 0.422 20 0 BCADRM COCCONC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000829007923 587479358 /nfs/dbraw/zinc/47/93/58/587479358.db2.gz SLFGDZQRZKYNRD-HTQZYQBOSA-N -1 0 246.263 0.117 20 0 BCADRM COCCONC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000829007816 587479366 /nfs/dbraw/zinc/47/93/66/587479366.db2.gz PIASTCJVOUWKNA-MRVPVSSYSA-N -1 0 246.263 0.213 20 0 BCADRM CCC1(C(=O)N[C@](C)(C(=O)[O-])C2CC2)COC1 ZINC000829033488 587480088 /nfs/dbraw/zinc/48/00/88/587480088.db2.gz OMVMNFFJANRZCA-NSHDSACASA-N -1 0 241.287 0.783 20 0 BCADRM CONC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000829061122 587481173 /nfs/dbraw/zinc/48/11/73/587481173.db2.gz JJEZDAAJECCRKB-QMMMGPOBSA-N -1 0 202.210 0.054 20 0 BCADRM CONC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000829061614 587481350 /nfs/dbraw/zinc/48/13/50/587481350.db2.gz QEAORPAZBMOJPH-PHDIDXHHSA-N -1 0 202.210 0.100 20 0 BCADRM CCC1(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000829065542 587481652 /nfs/dbraw/zinc/48/16/52/587481652.db2.gz PAJOJPAMFXVZSO-MRVPVSSYSA-N -1 0 249.332 0.817 20 0 BCADRM CCC1(COC(=O)CNC(=O)[O-])COC1 ZINC000829065632 587481700 /nfs/dbraw/zinc/48/17/00/587481700.db2.gz XJOXGYBMLHZSIO-UHFFFAOYSA-N -1 0 217.221 0.224 20 0 BCADRM CC[C@H]1CC(=O)N(CN(CC)CC(=O)[O-])C1 ZINC000829075356 587482214 /nfs/dbraw/zinc/48/22/14/587482214.db2.gz QAZNGIMSBPQWKS-VIFPVBQESA-N -1 0 228.292 0.609 20 0 BCADRM 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238.247 0.813 20 0 BCADRM Cn1nccc1C(=O)NC(C)(C)CNC(=O)[O-] ZINC000740305013 602304308 /nfs/dbraw/zinc/30/43/08/602304308.db2.gz OHWAHQIDWAGRFV-UHFFFAOYSA-N -1 0 240.263 0.196 20 0 BCADRM CC(C)(CNC(=O)[O-])NC(=O)c1ccn[nH]1 ZINC000738752111 602306197 /nfs/dbraw/zinc/30/61/97/602306197.db2.gz NWNVBAXNFLPMSY-UHFFFAOYSA-N -1 0 226.236 0.186 20 0 BCADRM CC(C)(CNC(=O)[O-])NC(=O)c1cn[nH]c1 ZINC000738751739 602306347 /nfs/dbraw/zinc/30/63/47/602306347.db2.gz KIGYKDQLOSHIAD-UHFFFAOYSA-N -1 0 226.236 0.186 20 0 BCADRM Cn1cccc1C(=O)NC(C)(C)CNC(=O)[O-] ZINC000740293291 602307594 /nfs/dbraw/zinc/30/75/94/602307594.db2.gz GFYQWLQDMMYBNI-UHFFFAOYSA-N -1 0 239.275 0.801 20 0 BCADRM CC(C)(CNC(=O)[O-])NC(=O)c1cccnc1 ZINC000738753070 602309682 /nfs/dbraw/zinc/30/96/82/602309682.db2.gz XWDGZBYSCRIHFT-UHFFFAOYSA-N -1 0 237.259 0.858 20 0 BCADRM CN(CCNc1ncnc2[nH]ccc21)C(=O)[O-] ZINC000739700703 602310741 /nfs/dbraw/zinc/31/07/41/602310741.db2.gz GKZCKXYEPQIPNG-UHFFFAOYSA-N -1 0 235.247 0.980 20 0 BCADRM 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ZINC000739241729 603090635 /nfs/dbraw/zinc/09/06/35/603090635.db2.gz ZSVWNMJCHPSEQE-SECBINFHSA-N -1 0 246.307 0.870 20 0 BCADRM COCCN(CC(=O)N(C)CC(C)C)C(=O)[O-] ZINC000739811425 603090948 /nfs/dbraw/zinc/09/09/48/603090948.db2.gz CGMMSLUFJMFIHS-UHFFFAOYSA-N -1 0 246.307 0.727 20 0 BCADRM CONC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739846956 603092368 /nfs/dbraw/zinc/09/23/68/603092368.db2.gz VWOHUMNLGVDYAS-UHFFFAOYSA-N -1 0 231.252 0.426 20 0 BCADRM CN(Cc1ccon1)C(=O)NCCNC(=O)[O-] ZINC000739719027 603096462 /nfs/dbraw/zinc/09/64/62/603096462.db2.gz ITXXDVBUPRPQLH-UHFFFAOYSA-N -1 0 242.235 0.084 20 0 BCADRM CO[C@@H](C)CC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000828824452 603113520 /nfs/dbraw/zinc/11/35/20/603113520.db2.gz RKHOISVNIDFKGC-IUCAKERBSA-N -1 0 244.291 0.670 20 0 BCADRM COC(=O)COC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739762391 603121987 /nfs/dbraw/zinc/12/19/87/603121987.db2.gz OZRFCJRPDCIUED-RNFRBKRXSA-N -1 0 245.231 0.139 20 0 BCADRM COC(=O)[C@@H](C)OC(=O)CC(C)(C)NC(=O)[O-] ZINC000739760021 603129621 /nfs/dbraw/zinc/12/96/21/603129621.db2.gz RLAOBRWWVUTEFT-ZCFIWIBFSA-N -1 0 247.247 0.527 20 0 BCADRM C[C@@H]1CCN1C(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739115463 603132071 /nfs/dbraw/zinc/13/20/71/603132071.db2.gz SGWICEMDNUNPBC-VXNVDRBHSA-N -1 0 241.291 0.836 20 0 BCADRM COC(=O)COC(=O)CC(C)(C)NC(=O)[O-] ZINC000739760526 603133239 /nfs/dbraw/zinc/13/32/39/603133239.db2.gz GCQCQUFAQKRZGF-UHFFFAOYSA-N -1 0 233.220 0.139 20 0 BCADRM Cc1ncsc1C(=O)OCCNC(=O)[O-] ZINC000740243307 603150361 /nfs/dbraw/zinc/15/03/61/603150361.db2.gz VQMGTBVHOCATIU-UHFFFAOYSA-N -1 0 230.245 0.876 20 0 BCADRM O=C([O-])NCCCOC(=O)Cc1cccnc1 ZINC000740654974 603151331 /nfs/dbraw/zinc/15/13/31/603151331.db2.gz QQQFUXYFLIUGIA-UHFFFAOYSA-N -1 0 238.243 0.825 20 0 BCADRM O=C([O-])NC1CCN(Cc2ccon2)CC1 ZINC000740597429 603152353 /nfs/dbraw/zinc/15/23/53/603152353.db2.gz ZKIBPABJLVHKHJ-UHFFFAOYSA-N -1 0 225.248 0.907 20 0 BCADRM CC(C)CCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000738817626 603152413 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603162789 /nfs/dbraw/zinc/16/27/89/603162789.db2.gz BCBRRWRTUGMMBD-VIFPVBQESA-N -1 0 245.275 0.955 20 0 BCADRM O=C(C[C@@H]1CCOC1)O[C@H]1CCN(C(=O)[O-])C1 ZINC000740349931 603162846 /nfs/dbraw/zinc/16/28/46/603162846.db2.gz LPVJPWASVBVYAB-IUCAKERBSA-N -1 0 243.259 0.709 20 0 BCADRM COC[C@H](C)C(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000739801065 603163334 /nfs/dbraw/zinc/16/33/34/603163334.db2.gz HATCPYPFIPPUIK-IUCAKERBSA-N -1 0 245.275 0.812 20 0 BCADRM C[C@@H]1CN(C(=O)NC2CC2)CC[C@H]1NC(=O)[O-] ZINC000739134211 603183947 /nfs/dbraw/zinc/18/39/47/603183947.db2.gz LRZYKHKDNCOXDC-VXNVDRBHSA-N -1 0 241.291 0.836 20 0 BCADRM O=C([O-])NC[C@@H]1CCN(C(=O)C2=COCC2)C1 ZINC000740627015 603185519 /nfs/dbraw/zinc/18/55/19/603185519.db2.gz AEDKLEBJYVPZMG-QMMMGPOBSA-N -1 0 240.259 0.407 20 0 BCADRM CCO[C@@H](CC)C(=O)N(C)CCCNC(=O)[O-] ZINC000739483432 603190199 /nfs/dbraw/zinc/19/01/99/603190199.db2.gz JSIDHDAGBMXABP-VIFPVBQESA-N -1 0 246.307 0.918 20 0 BCADRM CC(C)(CNC(=O)[O-])NC(=O)c1ncccn1 ZINC000738751576 603191216 /nfs/dbraw/zinc/19/12/16/603191216.db2.gz BBZXECBPZJYMQN-UHFFFAOYSA-N -1 0 238.247 0.253 20 0 BCADRM O=C([O-])NCCCNC(=O)CC1(O)CCCC1 ZINC000740650385 603191709 /nfs/dbraw/zinc/19/17/09/603191709.db2.gz MFZBYAUQFFCJNW-UHFFFAOYSA-N -1 0 244.291 0.456 20 0 BCADRM CC[C@H](C)[C@](C)(O)CNC(=O)CCNC(=O)[O-] ZINC000739223040 603193944 /nfs/dbraw/zinc/19/39/44/603193944.db2.gz HNDIZEVHEMFKSN-GZMMTYOYSA-N -1 0 246.307 0.557 20 0 BCADRM CC[C@H](C)C(=O)OC1CN(C(=O)[O-])C1 ZINC000739224175 603197152 /nfs/dbraw/zinc/19/71/52/603197152.db2.gz JMIIRUIGTIIQBA-LURJTMIESA-N -1 0 201.222 0.938 20 0 BCADRM CC(C)COCCC(=O)OC1CN(C(=O)[O-])C1 ZINC000738828887 603197219 /nfs/dbraw/zinc/19/72/19/603197219.db2.gz VIDMBCGIMHJEOP-UHFFFAOYSA-N -1 0 245.275 0.955 20 0 BCADRM O=C([O-])N1CC(OC(=O)c2ccoc2)C1 ZINC000740720338 603197831 /nfs/dbraw/zinc/19/78/31/603197831.db2.gz IHRGMUQQYCLBJZ-UHFFFAOYSA-N -1 0 211.173 0.799 20 0 BCADRM O=C([O-])N1CCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000739386683 603204607 /nfs/dbraw/zinc/20/46/07/603204607.db2.gz CQTSOHFQSCYORU-MRVPVSSYSA-N -1 0 238.247 0.282 20 0 BCADRM C[C@H]1COCCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739195390 603217413 /nfs/dbraw/zinc/21/74/13/603217413.db2.gz DRDCOJKIYHEFPT-DTWKUNHWSA-N -1 0 242.275 0.234 20 0 BCADRM Cn1cc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000740288644 603228025 /nfs/dbraw/zinc/22/80/25/603228025.db2.gz DXUVAAXCDVRNMX-ZETCQYMHSA-N -1 0 238.247 0.359 20 0 BCADRM CON(C)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739848246 603235649 /nfs/dbraw/zinc/23/56/49/603235649.db2.gz HECVZLDKTOJYFB-JGVFFNPUSA-N -1 0 230.264 0.833 20 0 BCADRM O=C([O-])N1CC[C@H](C(=O)Nc2cnoc2)C1 ZINC000740476233 603236233 /nfs/dbraw/zinc/23/62/33/603236233.db2.gz FNTIHUXEXFSVQD-LURJTMIESA-N -1 0 225.204 0.613 20 0 BCADRM CCCS(=O)(=O)NC(C)(C)CNC(=O)[O-] ZINC000739373452 603237094 /nfs/dbraw/zinc/23/70/94/603237094.db2.gz KAFTXYGLYNDSJZ-UHFFFAOYSA-N -1 0 238.309 0.362 20 0 BCADRM CCCC[C@@H](COC)NC(=O)[C@H](C)NC(=O)[O-] ZINC000739330477 603241430 /nfs/dbraw/zinc/24/14/30/603241430.db2.gz NOIWWYQBFVYEGN-IUCAKERBSA-N -1 0 246.307 0.964 20 0 BCADRM CSC[C@H](C)NC(=O)[C@H](C)NC(=O)[O-] ZINC000740002074 603242378 /nfs/dbraw/zinc/24/23/78/603242378.db2.gz ZXXOMIMRUBBNQE-WDSKDSINSA-N -1 0 220.294 0.510 20 0 BCADRM Cc1noc(CN(C)CCCNC(=O)[O-])n1 ZINC000740267406 603249972 /nfs/dbraw/zinc/24/99/72/603249972.db2.gz UIVHHKQQVXUVTP-UHFFFAOYSA-N -1 0 228.252 0.468 20 0 BCADRM O=C([O-])N1CC[C@@H](C(=O)Nc2cccnn2)C1 ZINC000740475206 603253085 /nfs/dbraw/zinc/25/30/85/603253085.db2.gz ABBYBUCTLYISAU-SSDOTTSWSA-N -1 0 236.231 0.415 20 0 BCADRM O=C([O-])N1CC[C@H](C(=O)N2CCSCC2)C1 ZINC000740492309 603281459 /nfs/dbraw/zinc/28/14/59/603281459.db2.gz SUJXBCSHQJCMBY-QMMMGPOBSA-N -1 0 244.316 0.562 20 0 BCADRM CSCCCNC(=O)NCCNC(=O)[O-] ZINC000740010117 603286940 /nfs/dbraw/zinc/28/69/40/603286940.db2.gz OUNDBIYWECDJKA-UHFFFAOYSA-N -1 0 235.309 0.306 20 0 BCADRM C[C@@H]1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739114186 603294555 /nfs/dbraw/zinc/29/45/55/603294555.db2.gz UUQFWLCQIRUDRK-BDAKNGLRSA-N -1 0 226.276 0.855 20 0 BCADRM CCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000739210459 603303954 /nfs/dbraw/zinc/30/39/54/603303954.db2.gz FHNKUFDJLACHRE-HTQZYQBOSA-N -1 0 214.265 0.949 20 0 BCADRM O=C([O-])N1CC[C@@H](C(=O)NC2CCC2)C1 ZINC000740393350 603307126 /nfs/dbraw/zinc/30/71/26/603307126.db2.gz KPGKNXRNNOHPAP-SSDOTTSWSA-N -1 0 212.249 0.655 20 0 BCADRM CCOCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000739491209 603307674 /nfs/dbraw/zinc/30/76/74/603307674.db2.gz SNDVXHRYAKFCSS-DTWKUNHWSA-N -1 0 244.291 0.575 20 0 BCADRM Cc1cc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)ccn1 ZINC000740082594 603311865 /nfs/dbraw/zinc/31/18/65/603311865.db2.gz GLHCQJVLTQLJCN-SECBINFHSA-N -1 0 249.270 0.750 20 0 BCADRM COC(=O)[C@@H](C)N1CCC(NC(=O)[O-])CC1 ZINC000739757170 603316691 /nfs/dbraw/zinc/31/66/91/603316691.db2.gz FEFRDOITLMSDAW-SSDOTTSWSA-N -1 0 230.264 0.280 20 0 BCADRM COC[C@H](C)C(=O)O[C@H]1CCN(C(=O)[O-])C1 ZINC000739803496 603323400 /nfs/dbraw/zinc/32/34/00/603323400.db2.gz ZUNBJNJDNINEGH-YUMQZZPRSA-N -1 0 231.248 0.564 20 0 BCADRM COC(C)(C)C(=O)O[C@H]1CCN(C(=O)[O-])C1 ZINC000739792710 603323532 /nfs/dbraw/zinc/32/35/32/603323532.db2.gz OUDCXQOMFBJSDY-ZETCQYMHSA-N -1 0 231.248 0.707 20 0 BCADRM O=C([O-])N1CC[C@H](OC(=O)[C@@H]2CCCOC2)C1 ZINC000740723271 603327987 /nfs/dbraw/zinc/32/79/87/603327987.db2.gz YGZABPIZHNUVAN-BDAKNGLRSA-N -1 0 243.259 0.709 20 0 BCADRM CCC[C@@H](O)CNC(=O)NCCCNC(=O)[O-] ZINC000739329139 603361771 /nfs/dbraw/zinc/36/17/71/603361771.db2.gz LOPNKWLQUMDUAL-MRVPVSSYSA-N -1 0 247.295 0.104 20 0 BCADRM CCOC(=O)CN(C)[C@H](C)CNC(=O)[O-] ZINC000739476247 603343108 /nfs/dbraw/zinc/34/31/08/603343108.db2.gz QCNRJDHUYUQEOS-SSDOTTSWSA-N -1 0 218.253 0.137 20 0 BCADRM COC(=O)[C@H](C)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739762102 603348707 /nfs/dbraw/zinc/34/87/07/603348707.db2.gz ZIAXPLGSKOSBSD-XHNCKOQMSA-N -1 0 244.291 0.526 20 0 BCADRM CCOC(=O)CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739469650 603350100 /nfs/dbraw/zinc/35/01/00/603350100.db2.gz BZTZXVXLFQOOGC-DTWKUNHWSA-N -1 0 244.291 0.528 20 0 BCADRM CCOC(=O)[C@@H](C)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739464795 603356978 /nfs/dbraw/zinc/35/69/78/603356978.db2.gz BXWJHPCLILNKQM-DTWKUNHWSA-N -1 0 244.291 0.622 20 0 BCADRM Cc1nc(CN2CCN(C(=O)[O-])[C@H](C)C2)no1 ZINC000740218600 603359537 /nfs/dbraw/zinc/35/95/37/603359537.db2.gz JZZKFEBLHTXBRP-SSDOTTSWSA-N -1 0 240.263 0.562 20 0 BCADRM CCN(CCNC(=O)N(C)C1CC1)C(=O)[O-] ZINC000739424429 603362050 /nfs/dbraw/zinc/36/20/50/603362050.db2.gz HMDYWIRBFHPQAX-UHFFFAOYSA-N -1 0 229.280 0.790 20 0 BCADRM CN(C(=O)NC[C@@H]1CCCN1C(=O)[O-])C1CC1 ZINC000739576745 603363589 /nfs/dbraw/zinc/36/35/89/603363589.db2.gz PPHIFMCZFYDXRI-VIFPVBQESA-N -1 0 241.291 0.933 20 0 BCADRM CN(C(=O)N[C@@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000739577050 603363592 /nfs/dbraw/zinc/36/35/92/603363592.db2.gz RLBQWPCYGUYEQV-SSDOTTSWSA-N -1 0 227.264 0.543 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)OCCc1cnn(C)c1 ZINC000738999825 603365895 /nfs/dbraw/zinc/36/58/95/603365895.db2.gz XSIISIYYGSIFFR-ZETCQYMHSA-N -1 0 241.247 0.162 20 0 BCADRM CCN(C)C(=O)CN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739380588 603368557 /nfs/dbraw/zinc/36/85/57/603368557.db2.gz MXLKKIPOGJYVAI-VIFPVBQESA-N -1 0 243.307 0.149 20 0 BCADRM CC[C@@H](C)NC(=O)CN(CC)C(=O)[O-] ZINC000739247005 603373188 /nfs/dbraw/zinc/37/31/88/603373188.db2.gz UFODJVBDWIOTRL-SSDOTTSWSA-N -1 0 202.254 0.901 20 0 BCADRM CCN(CC(=O)NCc1ccccn1)C(=O)[O-] ZINC000739393138 603373906 /nfs/dbraw/zinc/37/39/06/603373906.db2.gz ACJPOPZDRFTOFL-UHFFFAOYSA-N -1 0 237.259 0.698 20 0 BCADRM CCN(CC(=O)N[C@@H](C)COC)C(=O)[O-] ZINC000739387929 603374458 /nfs/dbraw/zinc/37/44/58/603374458.db2.gz BGXFDNWRXMYOTN-ZETCQYMHSA-N -1 0 218.253 0.137 20 0 BCADRM CCN(CC(=O)NCCSC)C(=O)[O-] ZINC000739394008 603375702 /nfs/dbraw/zinc/37/57/02/603375702.db2.gz UJGBEZHQEVVWHS-UHFFFAOYSA-N -1 0 220.294 0.466 20 0 BCADRM CNC(=S)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000739748996 603377573 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603385956 /nfs/dbraw/zinc/38/59/56/603385956.db2.gz KNNARNWQRSVVIK-UHFFFAOYSA-N -1 0 244.291 0.529 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000738978429 603387520 /nfs/dbraw/zinc/38/75/20/603387520.db2.gz JTNHFRABVUMGGK-FXQIFTODSA-N -1 0 230.264 0.278 20 0 BCADRM CN(CC(=O)NC[C@H]1CCCC[C@H]1O)C(=O)[O-] ZINC000737393582 603389303 /nfs/dbraw/zinc/38/93/03/603389303.db2.gz CLXIVALJRYAZJJ-RKDXNWHRSA-N -1 0 244.291 0.264 20 0 BCADRM Cc1nnc(NCCNC(=O)[O-])s1 ZINC000740252987 603401402 /nfs/dbraw/zinc/40/14/02/603401402.db2.gz ROTYNAOXMRTKOV-UHFFFAOYSA-N -1 0 202.239 0.526 20 0 BCADRM CC(C)[C@H](CNC(=O)c1ccn[nH]1)NC(=O)[O-] ZINC000738787671 603404549 /nfs/dbraw/zinc/40/45/49/603404549.db2.gz ATDRYYXEVYJYMQ-QMMMGPOBSA-N -1 0 240.263 0.432 20 0 BCADRM CCC(=O)NC[C@H](NC(=O)[O-])C(C)C ZINC000739212177 603405636 /nfs/dbraw/zinc/40/56/36/603405636.db2.gz LNRATLFCXARREU-ZETCQYMHSA-N -1 0 202.254 0.805 20 0 BCADRM O=C([O-])N1CCCN(Cc2ccon2)CC1 ZINC000738646067 603408126 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ZINC000908839478 639077227 /nfs/dbraw/zinc/07/72/27/639077227.db2.gz UDBXOAHFUUNZGP-UHFFFAOYSA-N -1 0 239.275 0.250 20 0 BCADRM CC(C)(NC(=O)[C@H](O)C1CCC1)C(=O)[O-] ZINC000908839433 639077344 /nfs/dbraw/zinc/07/73/44/639077344.db2.gz RGOYPULHQPIKFQ-SSDOTTSWSA-N -1 0 215.249 0.127 20 0 BCADRM CC(C)(O)CC(=O)NC(C)(C)C(=O)[O-] ZINC000908837343 639077470 /nfs/dbraw/zinc/07/74/70/639077470.db2.gz PPQSAWXEHSTAGJ-UHFFFAOYSA-N -1 0 203.238 0.127 20 0 BCADRM CC(C)(NC(=O)/C=C/[C@H]1CCOC1)C(=O)[O-] ZINC000908837986 639077481 /nfs/dbraw/zinc/07/74/81/639077481.db2.gz YPEDUUUAGHLQKI-RTMURIBGSA-N -1 0 227.260 0.559 20 0 BCADRM CC(C)(NC(=O)CC1(O)CCC1)C(=O)[O-] ZINC000908837810 639077627 /nfs/dbraw/zinc/07/76/27/639077627.db2.gz BGFLNTMEBQIUHQ-UHFFFAOYSA-N -1 0 215.249 0.271 20 0 BCADRM CC(C)(NC(=O)c1csc(CO)n1)C(=O)[O-] ZINC000908842260 639079044 /nfs/dbraw/zinc/07/90/44/639079044.db2.gz GLOFIWSYFULDEY-UHFFFAOYSA-N -1 0 244.272 0.228 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)NCCC[C@@H](O)CC ZINC000908831170 639080496 /nfs/dbraw/zinc/08/04/96/639080496.db2.gz YJRADULMSNDNFO-DTWKUNHWSA-N -1 0 231.292 0.765 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)Cn1ccc(C)n1 ZINC000908866450 639083050 /nfs/dbraw/zinc/08/30/50/639083050.db2.gz UMRFDVLDHFIEKK-UHFFFAOYSA-N -1 0 239.275 0.515 20 0 BCADRM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N(CC)CCC(=O)[O-] ZINC000908867251 639083150 /nfs/dbraw/zinc/08/31/50/639083150.db2.gz ZWOHWJSMDPNUHG-INTQDDNPSA-N -1 0 243.303 0.981 20 0 BCADRM CCC[C@](C)(NC(=O)CC(C)(C)O)C(=O)[O-] ZINC000908870728 639083711 /nfs/dbraw/zinc/08/37/11/639083711.db2.gz BPIDAXLAANNDCY-NSHDSACASA-N -1 0 231.292 0.907 20 0 BCADRM COC[C@H](C)[C@H](C)C(=O)NC(C)(C)C(=O)[O-] ZINC000908846141 639083740 /nfs/dbraw/zinc/08/37/40/639083740.db2.gz ZCGJSUXYVDVYQC-YUMQZZPRSA-N -1 0 231.292 0.884 20 0 BCADRM CCC[C@@](C)(NC(=O)CC(C)(C)O)C(=O)[O-] ZINC000908870717 639083799 /nfs/dbraw/zinc/08/37/99/639083799.db2.gz BPIDAXLAANNDCY-LLVKDONJSA-N -1 0 231.292 0.907 20 0 BCADRM CC/C(C)=C\C(=O)N(CCOC)CC(=O)[O-] ZINC000908849310 639084268 /nfs/dbraw/zinc/08/42/68/639084268.db2.gz MWSDDIUXJNUHBC-CLFYSBASSA-N -1 0 229.276 0.902 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)[C@@H](O)C1CCC1 ZINC000908860190 639085721 /nfs/dbraw/zinc/08/57/21/639085721.db2.gz XTVOLMHFRTXWBN-JTQLQIEISA-N -1 0 229.276 0.471 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)Cn1ccnc1C ZINC000908859165 639086209 /nfs/dbraw/zinc/08/62/09/639086209.db2.gz QHYHJDBTOCJYFW-UHFFFAOYSA-N -1 0 239.275 0.515 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)C(C)(C)O ZINC000908857369 639086436 /nfs/dbraw/zinc/08/64/36/639086436.db2.gz DWRWOCNHXDHSQF-UHFFFAOYSA-N -1 0 203.238 0.081 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)[C@](C)(O)C1CC1 ZINC000908862826 639087451 /nfs/dbraw/zinc/08/74/51/639087451.db2.gz ROOXALDENZNDJW-LLVKDONJSA-N -1 0 229.276 0.471 20 0 BCADRM CC(C)[C@@H](O)C(=O)N(CC(=O)[O-])C1CC1 ZINC000908890172 639087629 /nfs/dbraw/zinc/08/76/29/639087629.db2.gz FKSFLNNHNJABSK-SECBINFHSA-N -1 0 215.249 0.079 20 0 BCADRM CC[C@@H](O)[C@H](C)C(=O)N(CC(=O)[O-])C(C)C ZINC000908913106 639090416 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ZINC000908952009 639107906 /nfs/dbraw/zinc/10/79/06/639107906.db2.gz ICGGKMCBOYBOKP-UHFFFAOYSA-N -1 0 223.232 0.332 20 0 BCADRM CCN(CC(=O)[O-])C(=O)c1cc(C)nc(C)n1 ZINC000908960364 639111105 /nfs/dbraw/zinc/11/11/05/639111105.db2.gz RPDMMSXHRYKLKR-UHFFFAOYSA-N -1 0 237.259 0.640 20 0 BCADRM Cc1cc(C(=O)N(C)[C@@H](C)C(=O)[O-])ns1 ZINC000908983564 639113092 /nfs/dbraw/zinc/11/30/92/639113092.db2.gz DQXKQQDUBKWTIJ-LURJTMIESA-N -1 0 228.273 0.997 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)CCc1cnccn1 ZINC000908984147 639113436 /nfs/dbraw/zinc/11/34/36/639113436.db2.gz ISOYVOYQOTYBFX-MRVPVSSYSA-N -1 0 237.259 0.341 20 0 BCADRM CC(C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000909013564 639113529 /nfs/dbraw/zinc/11/35/29/639113529.db2.gz LDGPIQCKMURVIZ-QPUJVOFHSA-N -1 0 241.287 0.783 20 0 BCADRM CC(C)(O)CCC(=O)NC(C)(C)CC(=O)[O-] ZINC000909013775 639113822 /nfs/dbraw/zinc/11/38/22/639113822.db2.gz CJKMRYHCDSXQOK-UHFFFAOYSA-N -1 0 231.292 0.907 20 0 BCADRM CC(C)(CC(=O)[O-])NC(=O)COC(F)(F)F ZINC000909013870 639113960 /nfs/dbraw/zinc/11/39/60/639113960.db2.gz OLDABMYQKREOFW-UHFFFAOYSA-N -1 0 243.181 0.892 20 0 BCADRM CCn1ccnc1C(=O)NC(C)(C)CC(=O)[O-] ZINC000909014052 639114347 /nfs/dbraw/zinc/11/43/47/639114347.db2.gz HJQUZDTZUXSAMH-UHFFFAOYSA-N -1 0 239.275 0.886 20 0 BCADRM CC[C@H](O)[C@@H](C)C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000908988149 639114564 /nfs/dbraw/zinc/11/45/64/639114564.db2.gz VBDGNTUJFJQVNG-PRJMDXOYSA-N -1 0 217.265 0.325 20 0 BCADRM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000908987799 639115033 /nfs/dbraw/zinc/11/50/33/639115033.db2.gz JDJYCQVJMHEZAY-LURQLKTLSA-N -1 0 229.276 0.589 20 0 BCADRM Cc1ccn(C)c1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000908988087 639115180 /nfs/dbraw/zinc/11/51/80/639115180.db2.gz SYXHQANUICOTSR-QMMMGPOBSA-N -1 0 224.260 0.879 20 0 BCADRM CCC[C@@H](OC)C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000908988453 639115191 /nfs/dbraw/zinc/11/51/91/639115191.db2.gz WEYSUJLRACVVJB-HTQZYQBOSA-N -1 0 217.265 0.733 20 0 BCADRM CO[C@H](CC(C)C)C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000908987381 639115216 /nfs/dbraw/zinc/11/52/16/639115216.db2.gz QWAHVZVKNHHAFJ-RKDXNWHRSA-N -1 0 231.292 0.979 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cccc2nccn21 ZINC000908987881 639115257 /nfs/dbraw/zinc/11/52/57/639115257.db2.gz SDALCSMIJOEKNZ-MRVPVSSYSA-N -1 0 247.254 0.879 20 0 BCADRM CCn1ccnc1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000908984658 639115281 /nfs/dbraw/zinc/11/52/81/639115281.db2.gz KRPZHXKFELUHGC-ZETCQYMHSA-N -1 0 225.248 0.448 20 0 BCADRM Cc1nn(C)cc1CC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000908986779 639115319 /nfs/dbraw/zinc/11/53/19/639115319.db2.gz PIGYPCCELXTDFY-QMMMGPOBSA-N -1 0 239.275 0.203 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)Cn1cc(Cl)cn1 ZINC000908989462 639116660 /nfs/dbraw/zinc/11/66/60/639116660.db2.gz ZINSDRMDXLLEBA-ZCFIWIBFSA-N -1 0 245.666 0.468 20 0 BCADRM C/C(=C/C(=O)N(C)[C@@H](C)C(=O)[O-])c1cnccn1 ZINC000908991224 639116718 /nfs/dbraw/zinc/11/67/18/639116718.db2.gz ZUCYXYWSXCCTAG-XZLDQRQTSA-N -1 0 249.270 0.811 20 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ZINC000909123655 639152552 /nfs/dbraw/zinc/15/25/52/639152552.db2.gz UMYKOJQSGJIFQL-BYPYZUCNSA-N -1 0 229.154 0.502 20 0 BCADRM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H](C)C(=O)[O-] ZINC000909129822 639152651 /nfs/dbraw/zinc/15/26/51/639152651.db2.gz BLRQIZBBWFTLGN-HTQZYQBOSA-N -1 0 239.275 0.188 20 0 BCADRM CCc1nocc1C(=O)N[C@H](C)C(=O)[O-] ZINC000909130305 639153072 /nfs/dbraw/zinc/15/30/72/639153072.db2.gz IIJIFXNPFGCDBK-RXMQYKEDSA-N -1 0 212.205 0.440 20 0 BCADRM Cc1cc(CCC(=O)N[C@@H](C)C(=O)[O-])no1 ZINC000909130805 639153212 /nfs/dbraw/zinc/15/32/12/639153212.db2.gz DWPVLFLMXRIPQH-ZETCQYMHSA-N -1 0 226.232 0.505 20 0 BCADRM C[C@@H](NC(=O)CCc1ccc(O)cc1)C(=O)[O-] ZINC000909130127 639153341 /nfs/dbraw/zinc/15/33/41/639153341.db2.gz HRNATUXQYULECL-MRVPVSSYSA-N -1 0 237.255 0.914 20 0 BCADRM C[C@@H](NC(=O)C1CCC(O)CC1)C(=O)[O-] ZINC000909130172 639153665 /nfs/dbraw/zinc/15/36/65/639153665.db2.gz JQXFDHWBMVTIFD-JECWYVHBSA-N -1 0 215.249 0.127 20 0 BCADRM Cc1nc(C(=O)N[C@H](C)C(=O)[O-])c(C)o1 ZINC000909130692 639153868 /nfs/dbraw/zinc/15/38/68/639153868.db2.gz SRJBIORTNZLYKP-SCSAIBSYSA-N -1 0 212.205 0.494 20 0 BCADRM C[C@@H](NC(=O)[C@@H]1CCOC2(CCC2)C1)C(=O)[O-] ZINC000909130605 639153925 /nfs/dbraw/zinc/15/39/25/639153925.db2.gz CNTAGMBJFYWKGG-RKDXNWHRSA-N -1 0 241.287 0.925 20 0 BCADRM Cc1cn2ccnc(C(=O)N[C@H](C)C(=O)[O-])c2n1 ZINC000909130842 639153941 /nfs/dbraw/zinc/15/39/41/639153941.db2.gz OJVZFTCQRYMIDF-SSDOTTSWSA-N -1 0 248.242 0.241 20 0 BCADRM COCC1(C(=O)N[C@@H](C)C(=O)[O-])CCCC1 ZINC000909131104 639153945 /nfs/dbraw/zinc/15/39/45/639153945.db2.gz OXJHTACFKPKAPF-QMMMGPOBSA-N -1 0 229.276 0.783 20 0 BCADRM C[C@H](NC(=O)[C@@]1(C)CCCCO1)C(=O)[O-] ZINC000909131221 639153995 /nfs/dbraw/zinc/15/39/95/639153995.db2.gz YDPYSMOTENOHJE-OIBJUYFYSA-N -1 0 215.249 0.535 20 0 BCADRM CCc1c(C(=O)N[C@@H](C)C(=O)[O-])ccn1C ZINC000909131685 639154257 /nfs/dbraw/zinc/15/42/57/639154257.db2.gz JUVDEXOMJGYUCY-ZETCQYMHSA-N -1 0 224.260 0.790 20 0 BCADRM C[C@H](NC(=O)[C@]1(O)CCCC(C)(C)C1)C(=O)[O-] ZINC000909132226 639154444 /nfs/dbraw/zinc/15/44/44/639154444.db2.gz PIWPRWFRFAUUSU-UFBFGSQYSA-N -1 0 243.303 0.907 20 0 BCADRM CNc1nc(C)ccc1C(=O)N[C@H](C)C(=O)[O-] ZINC000909131415 639154651 /nfs/dbraw/zinc/15/46/51/639154651.db2.gz ZLFCMNBQWZSGJT-SSDOTTSWSA-N -1 0 237.259 0.635 20 0 BCADRM C[C@H](NC(=O)c1c[nH]nc1C(C)(C)C)C(=O)[O-] ZINC000909131910 639154795 /nfs/dbraw/zinc/15/47/95/639154795.db2.gz LKSDDACQCJXGBV-LURJTMIESA-N -1 0 239.275 0.910 20 0 BCADRM C[C@H](NC(=O)[C@@H](C)c1ccncc1)C(=O)[O-] ZINC000909131995 639154962 /nfs/dbraw/zinc/15/49/62/639154962.db2.gz MYKWNMUWIMNQJP-YUMQZZPRSA-N -1 0 222.244 0.774 20 0 BCADRM C[C@@H](NC(=O)[C@H](C)Oc1ccccn1)C(=O)[O-] ZINC000909131830 639155129 /nfs/dbraw/zinc/15/51/29/639155129.db2.gz XIZLVABMTCECJM-SFYZADRCSA-N -1 0 238.243 0.438 20 0 BCADRM Cc1cnc(C(=O)N[C@@H](C)C(=O)[O-])cc1C ZINC000909132276 639155074 /nfs/dbraw/zinc/15/50/74/639155074.db2.gz QLIHTVUZPIRDKB-QMMMGPOBSA-N -1 0 222.244 0.901 20 0 BCADRM C[C@@H](CN(C)C(=O)CCC(C)(C)O)C(=O)[O-] ZINC000909150776 639157005 /nfs/dbraw/zinc/15/70/05/639157005.db2.gz WZOWANSUDJCDBM-QMMMGPOBSA-N -1 0 231.292 0.717 20 0 BCADRM C[C@@H](CN(C)C(=O)[C@@](C)(O)C1CC1)C(=O)[O-] ZINC000909150246 639157466 /nfs/dbraw/zinc/15/74/66/639157466.db2.gz QAYSBRVYXKXZMO-CPCISQLKSA-N -1 0 229.276 0.327 20 0 BCADRM Cc1ncc(C(=O)N(C)C[C@H](C)C(=O)[O-])n1C ZINC000909150059 639157981 /nfs/dbraw/zinc/15/79/81/639157981.db2.gz SUFWLHHISIJTQD-ZETCQYMHSA-N -1 0 239.275 0.521 20 0 BCADRM CC(C)[C@@H](O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000909154577 639158945 /nfs/dbraw/zinc/15/89/45/639158945.db2.gz MFOGKPCFBYKSGC-JGVFFNPUSA-N -1 0 217.265 0.182 20 0 BCADRM C[C@@H](CN(C)C(=O)C1(O)CCC1)C(=O)[O-] ZINC000909155343 639159000 /nfs/dbraw/zinc/15/90/00/639159000.db2.gz QIKAQNSIAZYFJZ-ZETCQYMHSA-N -1 0 215.249 0.081 20 0 BCADRM C[C@H](CN(C)C(=O)COC(F)(F)F)C(=O)[O-] ZINC000909151841 639159482 /nfs/dbraw/zinc/15/94/82/639159482.db2.gz ZTAUNOMLSSUGQT-RXMQYKEDSA-N -1 0 243.181 0.702 20 0 BCADRM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000909145125 639160604 /nfs/dbraw/zinc/16/06/04/639160604.db2.gz DOGBTWGZWWJQRU-DOLQZWNJSA-N -1 0 243.303 0.837 20 0 BCADRM C[C@H](CN(C)C(=O)[C@@H]1C[C@@]12CCOC2)C(=O)[O-] ZINC000909144893 639160830 /nfs/dbraw/zinc/16/08/30/639160830.db2.gz CDZKLYMRTOPENU-VDDIYKPWSA-N -1 0 241.287 0.592 20 0 BCADRM C[C@H](CN(C)C(=O)Cc1cncn1C)C(=O)[O-] ZINC000909146764 639161400 /nfs/dbraw/zinc/16/14/00/639161400.db2.gz CKLLBAZZJIFWSS-MRVPVSSYSA-N -1 0 239.275 0.142 20 0 BCADRM CC(C)(O)C(=O)NCCCCCCC(=O)[O-] ZINC000909143519 639161471 /nfs/dbraw/zinc/16/14/71/639161471.db2.gz WLDKSDNWSLWYNH-UHFFFAOYSA-N -1 0 231.292 0.909 20 0 BCADRM Cc1ncc(CC(=O)N(C)C[C@H](C)C(=O)[O-])o1 ZINC000909145050 639161497 /nfs/dbraw/zinc/16/14/97/639161497.db2.gz CJUPEQNMCZLJLB-ZETCQYMHSA-N -1 0 240.259 0.705 20 0 BCADRM CCO[C@H]1[C@H](C(=O)N(C)CCC(=O)[O-])[C@@H]1C ZINC000909175099 639163464 /nfs/dbraw/zinc/16/34/64/639163464.db2.gz PQQKKWRFAXVLOG-FXBDTBDDSA-N -1 0 229.276 0.591 20 0 BCADRM COCCC(C)(C)C(=O)N(C)CCC(=O)[O-] ZINC000909177168 639164018 /nfs/dbraw/zinc/16/40/18/639164018.db2.gz YEMGREUZSWCMSI-UHFFFAOYSA-N -1 0 231.292 0.982 20 0 BCADRM CCn1ncc(C(=O)NCCCCC(=O)[O-])n1 ZINC000909184663 639164953 /nfs/dbraw/zinc/16/49/53/639164953.db2.gz ATHLROQEYBCRRC-UHFFFAOYSA-N -1 0 240.263 0.283 20 0 BCADRM O=C([O-])CCCCNC(=O)CC1(O)CCC1 ZINC000909182053 639165217 /nfs/dbraw/zinc/16/52/17/639165217.db2.gz QHPASUVLTSDVOI-UHFFFAOYSA-N -1 0 229.276 0.663 20 0 BCADRM O=C([O-])CCCCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000909187434 639167192 /nfs/dbraw/zinc/16/71/92/639167192.db2.gz LVEALMROZQKSJM-JOYOIKCWSA-N -1 0 241.287 0.784 20 0 BCADRM CN(CCC(=O)[O-])C(=O)[C@]1(C)CCCCO1 ZINC000909169032 639167389 /nfs/dbraw/zinc/16/73/89/639167389.db2.gz TZZPLDKOAGJVGU-NSHDSACASA-N -1 0 229.276 0.879 20 0 BCADRM CCC[C@@H](OC)C(=O)N(C)CCC(=O)[O-] ZINC000909169055 639167977 /nfs/dbraw/zinc/16/79/77/639167977.db2.gz UNBWBONEPIAQBU-MRVPVSSYSA-N -1 0 217.265 0.735 20 0 BCADRM CO[C@H](C(=O)N(C)CCC(=O)[O-])C(C)C ZINC000909168254 639168280 /nfs/dbraw/zinc/16/82/80/639168280.db2.gz PDZZQZUBKWBLBV-VIFPVBQESA-N -1 0 217.265 0.591 20 0 BCADRM CCC(CC)(CO)C(=O)N(C)CCC(=O)[O-] ZINC000909169086 639168318 /nfs/dbraw/zinc/16/83/18/639168318.db2.gz VEJAUFHKZZJDIR-UHFFFAOYSA-N -1 0 231.292 0.718 20 0 BCADRM C/C=C(/CC)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000909217708 639168847 /nfs/dbraw/zinc/16/88/47/639168847.db2.gz QEOWZWWPVZHVJW-CHDHTGKKSA-N -1 0 227.260 0.655 20 0 BCADRM C/C=C(\CC)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000909217713 639169862 /nfs/dbraw/zinc/16/98/62/639169862.db2.gz QEOWZWWPVZHVJW-QZGLAHODSA-N -1 0 227.260 0.655 20 0 BCADRM C[C@H](CNC(=O)[C@H]1C[C@@]12CCOC2)C(=O)[O-] ZINC000909200963 639170500 /nfs/dbraw/zinc/17/05/00/639170500.db2.gz FPELANAHIVGSRY-SOCHQFKDSA-N -1 0 227.260 0.250 20 0 BCADRM C[C@H](CNC(=O)C[C@@H](C)n1cccn1)C(=O)[O-] ZINC000909201317 639170805 /nfs/dbraw/zinc/17/08/05/639170805.db2.gz HTKRDBOXIQFXAN-RKDXNWHRSA-N -1 0 239.275 0.671 20 0 BCADRM C[C@H](CC(=O)NC[C@H](C)C(=O)[O-])n1cccn1 ZINC000909201312 639171137 /nfs/dbraw/zinc/17/11/37/639171137.db2.gz HTKRDBOXIQFXAN-DTWKUNHWSA-N -1 0 239.275 0.671 20 0 BCADRM CCn1ccnc1C(=O)NC[C@H](C)C(=O)[O-] ZINC000909201178 639171198 /nfs/dbraw/zinc/17/11/98/639171198.db2.gz CLGPKFQWUGVCCZ-ZETCQYMHSA-N -1 0 225.248 0.354 20 0 BCADRM C[C@H](CNC(=O)[C@H]1C[C@]12CCOC2)C(=O)[O-] ZINC000909200966 639171374 /nfs/dbraw/zinc/17/13/74/639171374.db2.gz FPELANAHIVGSRY-XLDPMVHQSA-N -1 0 227.260 0.250 20 0 BCADRM C[C@@H](CNC(=O)[C@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000909202693 639171973 /nfs/dbraw/zinc/17/19/73/639171973.db2.gz ORTLGSPGFJPFTD-JGVFFNPUSA-N -1 0 229.276 0.781 20 0 BCADRM C[C@H](CNC(=O)[C@]1(C)CCCCO1)C(=O)[O-] ZINC000909202453 639172329 /nfs/dbraw/zinc/17/23/29/639172329.db2.gz NZEMPNDEFCECJX-KCJUWKMLSA-N -1 0 229.276 0.783 20 0 BCADRM COC[C@H](C)[C@@H](C)C(=O)NC[C@H](C)C(=O)[O-] ZINC000909202367 639172447 /nfs/dbraw/zinc/17/24/47/639172447.db2.gz MRTSQXVWSQVACO-XHNCKOQMSA-N -1 0 231.292 0.742 20 0 BCADRM C[C@H](CNC(=O)[C@H]1CCC(=O)[C@H](C)C1)C(=O)[O-] ZINC000909210653 639173600 /nfs/dbraw/zinc/17/36/00/639173600.db2.gz OHDDGQOXKHFKPO-HLTSFMKQSA-N -1 0 241.287 0.829 20 0 BCADRM CCn1nc(C)c(C(=O)NC[C@@H](C)C(=O)[O-])n1 ZINC000909208034 639173182 /nfs/dbraw/zinc/17/31/82/639173182.db2.gz DFCWDXJXWYXEOM-ZCFIWIBFSA-N -1 0 240.263 0.057 20 0 BCADRM CCCn1cc(C(=O)NC[C@@H](C)C(=O)[O-])nn1 ZINC000909209626 639173201 /nfs/dbraw/zinc/17/32/01/639173201.db2.gz KZTLXURIANOHCX-SSDOTTSWSA-N -1 0 240.263 0.139 20 0 BCADRM Cc1cc[nH]c1C(=O)NC[C@H](C)C(=O)[O-] ZINC000909210695 639173244 /nfs/dbraw/zinc/17/32/44/639173244.db2.gz OWOIWTFURXMAQD-ZETCQYMHSA-N -1 0 210.233 0.774 20 0 BCADRM CC(C(=O)N1CCO[C@H](C(=O)[O-])C1)=C1CCC1 ZINC000909215211 639174790 /nfs/dbraw/zinc/17/47/90/639174790.db2.gz BJLLFFMWHMNRHA-JTQLQIEISA-N -1 0 239.271 0.799 20 0 BCADRM CSC1(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000909212313 639175178 /nfs/dbraw/zinc/17/51/78/639175178.db2.gz ZMAHHMYYFCZYHQ-LURJTMIESA-N -1 0 217.290 0.719 20 0 BCADRM CC[C@@H](O)[C@H](C)C(=O)NCCSCC(=O)[O-] ZINC000909231530 639179743 /nfs/dbraw/zinc/17/97/43/639179743.db2.gz PJNDQZQVKDMBJY-JGVFFNPUSA-N -1 0 249.332 0.327 20 0 BCADRM CCCC[C@@H](NC(=O)NOCCOC)C(=O)[O-] ZINC000909250355 639184388 /nfs/dbraw/zinc/18/43/88/639184388.db2.gz CAGMVYQZVOGETB-MRVPVSSYSA-N -1 0 248.279 0.507 20 0 BCADRM CCO[C@H]1[C@H](C(=O)N[C@H](C)C(=O)[O-])[C@@H]1C ZINC000909254295 639185509 /nfs/dbraw/zinc/18/55/09/639185509.db2.gz DXCSINZITPRXNR-LXGUWJNJSA-N -1 0 215.249 0.247 20 0 BCADRM COC[C@@H](C)[C@@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000909256253 639185662 /nfs/dbraw/zinc/18/56/62/639185662.db2.gz REKNUZWLSWJEKG-BWZBUEFSSA-N -1 0 217.265 0.494 20 0 BCADRM CC(C)(CO)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000909265357 639189871 /nfs/dbraw/zinc/18/98/71/639189871.db2.gz XSXHDGHEQQSRIM-UHFFFAOYSA-N -1 0 241.243 0.613 20 0 BCADRM CC[C@@H](CO)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000909299717 639190741 /nfs/dbraw/zinc/19/07/41/639190741.db2.gz GLJXLCJLHQTLPZ-KWQFWETISA-N -1 0 229.276 0.328 20 0 BCADRM CC(C)(CNC(=O)Cc1cncs1)C(=O)[O-] ZINC000909276165 639192377 /nfs/dbraw/zinc/19/23/77/639192377.db2.gz FZCABBZOSBCRCZ-UHFFFAOYSA-N -1 0 242.300 0.913 20 0 BCADRM CC(C)(O)CCC(=O)NCC1(C(=O)[O-])CCC1 ZINC000909275144 639192461 /nfs/dbraw/zinc/19/24/61/639192461.db2.gz HQTIZCCTLXBZTL-UHFFFAOYSA-N -1 0 243.303 0.909 20 0 BCADRM CSCC[C@@H](O)C(=O)NCC(C)(C)C(=O)[O-] ZINC000909279311 639194166 /nfs/dbraw/zinc/19/41/66/639194166.db2.gz GXHINJIXGGLTTP-SSDOTTSWSA-N -1 0 249.332 0.327 20 0 BCADRM O=C([O-])C1(CNC(=O)C2CC(=O)C2)CCCC1 ZINC000909278701 639194564 /nfs/dbraw/zinc/19/45/64/639194564.db2.gz ZURCCMCOGJSQLD-UHFFFAOYSA-N -1 0 239.271 0.727 20 0 BCADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)O ZINC000909685786 639197212 /nfs/dbraw/zinc/19/72/12/639197212.db2.gz ZAYQJPZBBRGJIW-OIBJUYFYSA-N -1 0 217.265 0.373 20 0 BCADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)O ZINC000909685788 639197897 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ZINC000909713695 639207673 /nfs/dbraw/zinc/20/76/73/639207673.db2.gz BQDJRWRYCRPQBE-IVZWLZJFSA-N -1 0 241.287 0.517 20 0 BCADRM CC[C@@H]1C[C@H]1C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000909692901 639208442 /nfs/dbraw/zinc/20/84/42/639208442.db2.gz GISWAVQIRNAJDI-LNLATYFQSA-N -1 0 241.287 0.783 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N(C)C[C@@H]1CCCOC1 ZINC000909723326 639212619 /nfs/dbraw/zinc/21/26/19/639212619.db2.gz JNAYNOTTXRDDNA-UWVGGRQHSA-N -1 0 243.303 0.982 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)NCCOC(C)C ZINC000909725482 639212721 /nfs/dbraw/zinc/21/27/21/639212721.db2.gz ZRAKXGYNTYXDEK-MRVPVSSYSA-N -1 0 217.265 0.638 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CCOC[C@@H]1C1CC1 ZINC000909727809 639212851 /nfs/dbraw/zinc/21/28/51/639212851.db2.gz GFHULSOHYLYELO-PSASIEDQSA-N -1 0 241.287 0.735 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N[C@H]1CCOC1 ZINC000909725259 639213636 /nfs/dbraw/zinc/21/36/36/639213636.db2.gz YGGVZIKCGLSHOQ-BQBZGAKWSA-N -1 0 201.222 0.002 20 0 BCADRM Cc1nc(C(=O)N[C@H](CC(F)F)C(=O)[O-])co1 ZINC000909773408 639219702 /nfs/dbraw/zinc/21/97/02/639219702.db2.gz ISFGAQQEEIQFDV-RXMQYKEDSA-N -1 0 248.185 0.821 20 0 BCADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C1(O)CCC1 ZINC000909798927 639221201 /nfs/dbraw/zinc/22/12/01/639221201.db2.gz LBLMSVRYSIJGGI-YUMQZZPRSA-N -1 0 227.260 0.223 20 0 BCADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(C)(C)CO ZINC000909799465 639221777 /nfs/dbraw/zinc/22/17/77/639221777.db2.gz NKJYCDVMXCPTPQ-YUMQZZPRSA-N -1 0 229.276 0.327 20 0 BCADRM CO[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000909778151 639222598 /nfs/dbraw/zinc/22/25/98/639222598.db2.gz AUZKAPREXSCWTQ-DOLQZWNJSA-N -1 0 241.287 0.733 20 0 BCADRM C[C@H]1CCN(C(=O)c2cocn2)[C@H](C(=O)[O-])C1 ZINC000909781098 639222646 /nfs/dbraw/zinc/22/26/46/639222646.db2.gz OAHIQHMJBGCNOM-CBAPKCEASA-N -1 0 238.243 1.000 20 0 BCADRM C[C@H]1CCN(C(=O)c2cnco2)[C@@H](C(=O)[O-])C1 ZINC000909781613 639222799 /nfs/dbraw/zinc/22/27/99/639222799.db2.gz OZJVFDGCURMEBL-JGVFFNPUSA-N 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CCC[C@H](CNC(=O)C1(O)CCCC1)C(=O)[O-] ZINC000909813399 639227926 /nfs/dbraw/zinc/22/79/26/639227926.db2.gz KJYXXRMXPSKGCP-SECBINFHSA-N -1 0 243.303 0.909 20 0 BCADRM CCC[C@H](CNC(=O)c1ncn(C)n1)C(=O)[O-] ZINC000909811873 639227984 /nfs/dbraw/zinc/22/79/84/639227984.db2.gz MUODURURNXEPMS-SSDOTTSWSA-N -1 0 240.263 0.046 20 0 BCADRM CCC[C@H](CNC(=O)[C@H]1C[C@@H](O)C1)C(=O)[O-] ZINC000909812431 639229007 /nfs/dbraw/zinc/22/90/07/639229007.db2.gz WELLOCIDFSRHFX-HLTSFMKQSA-N -1 0 229.276 0.374 20 0 BCADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CC1(O)CCC1 ZINC000909811978 639229058 /nfs/dbraw/zinc/22/90/58/639229058.db2.gz YQRBCYATSQFEHA-RKDXNWHRSA-N -1 0 241.287 0.613 20 0 BCADRM CCC[C@@H](CNC(=O)C1(O)CCC1)C(=O)[O-] ZINC000909814964 639230635 /nfs/dbraw/zinc/23/06/35/639230635.db2.gz SORFRBIBQIKLNB-QMMMGPOBSA-N -1 0 229.276 0.519 20 0 BCADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)O ZINC000909852921 639233832 /nfs/dbraw/zinc/23/38/32/639233832.db2.gz DROZTIGTDJJGRN-YUMQZZPRSA-N -1 0 217.265 0.325 20 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639243911 /nfs/dbraw/zinc/24/39/11/639243911.db2.gz WXYHBJPGJLHLAZ-QMMMGPOBSA-N -1 0 239.275 0.190 20 0 BCADRM O=C([O-])c1cccc2c1CN(C(=O)CO)CC2 ZINC000909870475 639243964 /nfs/dbraw/zinc/24/39/64/639243964.db2.gz FPKQKQPYCMEZCY-UHFFFAOYSA-N -1 0 235.239 0.262 20 0 BCADRM O=C([O-])[C@@H](CNC(=O)c1cnco1)CC1CC1 ZINC000909880025 639251843 /nfs/dbraw/zinc/25/18/43/639251843.db2.gz KBMCKDSFTATSNA-MRVPVSSYSA-N -1 0 238.243 0.905 20 0 BCADRM CSCCC(=O)NCc1nc(C(=O)[O-])co1 ZINC000909890463 639255704 /nfs/dbraw/zinc/25/57/04/639255704.db2.gz RSVGRWDCMOTNNB-UHFFFAOYSA-N -1 0 244.272 0.742 20 0 BCADRM Cc1ncc(CC(=O)NC2(CC(=O)[O-])CC2)o1 ZINC000909899827 639262636 /nfs/dbraw/zinc/26/26/36/639262636.db2.gz GPMRFTGQVWJMEG-UHFFFAOYSA-N -1 0 238.243 0.649 20 0 BCADRM O=C([O-])CC1(NC(=O)Cc2ccco2)CC1 ZINC000909899864 639263516 /nfs/dbraw/zinc/26/35/16/639263516.db2.gz HZLCRFMIKMSVIP-UHFFFAOYSA-N -1 0 223.228 0.946 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H]1COC(C)(C)C1 ZINC000909933556 639283317 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639291527 /nfs/dbraw/zinc/29/15/27/639291527.db2.gz LZOUYLHUEDVIPV-MRVPVSSYSA-N -1 0 241.243 0.611 20 0 BCADRM C[C@@](CCF)(NC(=O)CC1(O)CCC1)C(=O)[O-] ZINC000909970312 639292685 /nfs/dbraw/zinc/29/26/85/639292685.db2.gz FMIQKPZKCDIBTB-JTQLQIEISA-N -1 0 247.266 0.611 20 0 BCADRM COC[C@@H](C)CC(=O)N[C@](C)(CCF)C(=O)[O-] ZINC000909971234 639292701 /nfs/dbraw/zinc/29/27/01/639292701.db2.gz JQHKHSZVWINCHN-GZMMTYOYSA-N -1 0 249.282 0.978 20 0 BCADRM CC(C)(O)CC(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC000909970291 639293146 /nfs/dbraw/zinc/29/31/46/639293146.db2.gz FIHBTKFNKMKTFM-JTQLQIEISA-N -1 0 235.255 0.467 20 0 BCADRM C[C@@H]1OCC[C@H]1C(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC000909973521 639294419 /nfs/dbraw/zinc/29/44/19/639294419.db2.gz ZQYXNWSXVPWYFV-RNSXUZJQSA-N -1 0 247.266 0.731 20 0 BCADRM CC[C@H](O)[C@H](C)C(=O)N[C@](C)(CCF)C(=O)[O-] ZINC000909973523 639294626 /nfs/dbraw/zinc/29/46/26/639294626.db2.gz ZSGJEXGOYKIUBJ-DKCNOQQISA-N -1 0 249.282 0.713 20 0 BCADRM Cn1ccc(C(=O)N[C@](C)(CCF)C(=O)[O-])n1 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/nfs/dbraw/zinc/17/26/88/711172688.db2.gz ONYSGGIVRHHNHS-SECBINFHSA-N -1 0 240.332 0.691 20 0 BCADRM COCCc1nc(=N[C@@H]2CCO[C@H]2C)s[n-]1 ZINC000393791466 711175182 /nfs/dbraw/zinc/17/51/82/711175182.db2.gz ZLFDWNBAKIWDHO-JGVFFNPUSA-N -1 0 243.332 0.738 20 0 BCADRM C[C@H](C(=O)[O-])N(C)Cc1c(Cl)cnn1C ZINC000394569445 711195739 /nfs/dbraw/zinc/19/57/39/711195739.db2.gz QZLDJKNZBYEYOI-ZCFIWIBFSA-N -1 0 231.683 0.978 20 0 BCADRM CC/C=C\CNC(=O)N[C@@](C)(COC)C(=O)[O-] ZINC000394985964 711199646 /nfs/dbraw/zinc/19/96/46/711199646.db2.gz IAHVVHWECBSHDT-GZTOBOFZSA-N -1 0 244.291 0.742 20 0 BCADRM CCn1ccnc1CNc1cc(C(=O)[O-])ncn1 ZINC000395443603 711211604 /nfs/dbraw/zinc/21/16/04/711211604.db2.gz LLQMLLWHTHMFGW-UHFFFAOYSA-N -1 0 247.258 0.425 20 0 BCADRM Cc1ccc(C(=O)NC[C@H](C)CC(=O)[O-])nn1 ZINC000396429362 711220205 /nfs/dbraw/zinc/22/02/05/711220205.db2.gz QJZVNJYTPJUMFL-SSDOTTSWSA-N -1 0 237.259 0.626 20 0 BCADRM N#Cc1cnnc(NCC2(C(=O)[O-])CCC2)c1 ZINC000396342217 711220455 /nfs/dbraw/zinc/22/04/55/711220455.db2.gz NHXIPLVLNGRWBE-UHFFFAOYSA-N -1 0 232.243 0.437 20 0 BCADRM CC(C)(CNC(=O)c1ccncn1)C(=O)[O-] ZINC000396460340 711220770 /nfs/dbraw/zinc/22/07/70/711220770.db2.gz DVVKJFVGNLWHLT-UHFFFAOYSA-N -1 0 223.232 0.317 20 0 BCADRM CCC[C@H](CNC(=O)c1ccncn1)C(=O)[O-] ZINC000396435993 711221250 /nfs/dbraw/zinc/22/12/50/711221250.db2.gz FWXXYKZMNZEMDX-MRVPVSSYSA-N -1 0 237.259 0.707 20 0 BCADRM CC[C@@](C)(NC(=O)c1ccc(C)nn1)C(=O)[O-] ZINC000396434789 711221510 /nfs/dbraw/zinc/22/15/10/711221510.db2.gz YURZYNVCLVPHGP-LLVKDONJSA-N -1 0 237.259 0.768 20 0 BCADRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)nn1 ZINC000396431604 711221546 /nfs/dbraw/zinc/22/15/46/711221546.db2.gz UEZLRCWUGQVVPA-SECBINFHSA-N -1 0 235.243 0.378 20 0 BCADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccncn1 ZINC000396472935 711221675 /nfs/dbraw/zinc/22/16/75/711221675.db2.gz QKLBITHMGLTFHR-HTQZYQBOSA-N -1 0 235.243 0.412 20 0 BCADRM COCCCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000397411121 711382543 /nfs/dbraw/zinc/38/25/43/711382543.db2.gz XONZYDRTJQYYAV-BDAKNGLRSA-N -1 0 229.276 0.592 20 0 BCADRM CC[C@H](O)CCCNC(=O)CCCC(=O)[O-] ZINC000398484275 711410424 /nfs/dbraw/zinc/41/04/24/711410424.db2.gz YLBKHKLALDTRAC-VIFPVBQESA-N -1 0 231.292 0.909 20 0 BCADRM CC[C@@H](O)CCCNC(=O)CCCC(=O)[O-] ZINC000398484274 711410971 /nfs/dbraw/zinc/41/09/71/711410971.db2.gz YLBKHKLALDTRAC-SECBINFHSA-N -1 0 231.292 0.909 20 0 BCADRM C[C@H]1COCCN(C(=O)CCCC(=O)[O-])C1 ZINC000399023847 711419238 /nfs/dbraw/zinc/41/92/38/711419238.db2.gz GIZGALLCBVLHKN-SECBINFHSA-N -1 0 229.276 0.736 20 0 BCADRM C[C@H]1COCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC000399085838 711420512 /nfs/dbraw/zinc/42/05/12/711420512.db2.gz ZMXONPQYDSEFME-HLTSFMKQSA-N -1 0 227.260 0.202 20 0 BCADRM CC1(C(=O)[O-])CN(C(=O)[C@H]2CCCCO2)C1 ZINC000399162914 711423004 /nfs/dbraw/zinc/42/30/04/711423004.db2.gz CJTRGOBLSFXWKA-MRVPVSSYSA-N -1 0 227.260 0.489 20 0 BCADRM C[C@@H]1COCCN(C(=O)C2(C(=O)[O-])CCC2)C1 ZINC000399218887 711424181 /nfs/dbraw/zinc/42/41/81/711424181.db2.gz XUGYOSCFJVWXMB-VIFPVBQESA-N -1 0 241.287 0.736 20 0 BCADRM Cc1cc(C(=O)N2CC(C)(C(=O)[O-])C2)ccn1 ZINC000399201905 711424326 /nfs/dbraw/zinc/42/43/26/711424326.db2.gz AEASADGXLUZRGQ-UHFFFAOYSA-N -1 0 234.255 0.937 20 0 BCADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC(C)(C(=O)[O-])C1 ZINC000399313322 711426874 /nfs/dbraw/zinc/42/68/74/711426874.db2.gz RWZYOOCHVFYMCW-BDAKNGLRSA-N -1 0 241.287 0.735 20 0 BCADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C2CC2)C1 ZINC000380982522 710595327 /nfs/dbraw/zinc/59/53/27/710595327.db2.gz CRTRJNYCCJJMPW-NSHDSACASA-N -1 0 227.260 0.346 20 0 BCADRM C/C(=C\C(=O)NC[C@@](C)(O)C(=O)[O-])C1CC1 ZINC000381047788 710600203 /nfs/dbraw/zinc/60/02/03/710600203.db2.gz FZCNHGGVYBUYCM-OKPNEXGHSA-N -1 0 227.260 0.295 20 0 BCADRM Cn1c(=N)[n-]nc1SCCC1OCCCO1 ZINC000381124021 710603671 /nfs/dbraw/zinc/60/36/71/710603671.db2.gz JDEAUZZRTMJQGI-UHFFFAOYSA-N -1 0 244.320 0.473 20 0 BCADRM C[C@H](CCNS(=O)(=O)CC1CCC1)C(=O)[O-] ZINC000381140062 710604890 /nfs/dbraw/zinc/60/48/90/710604890.db2.gz MJYIECJRIWTJHI-MRVPVSSYSA-N -1 0 249.332 0.817 20 0 BCADRM CC/C=C/CNC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000384948662 711001206 /nfs/dbraw/zinc/00/12/06/711001206.db2.gz FVUPXXFSBPABSF-CDAZIORVSA-N -1 0 242.275 0.448 20 0 BCADRM CC/C=C/CNC(=O)N[C@H](C)C(=O)[O-] ZINC000385006438 711003076 /nfs/dbraw/zinc/00/30/76/711003076.db2.gz MSWSBTCMOPZQLV-SMMXGFFBSA-N -1 0 200.238 0.725 20 0 BCADRM CCCCC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386462910 711030238 /nfs/dbraw/zinc/03/02/38/711030238.db2.gz NOLKRVSDKPJYKL-JTQLQIEISA-N -1 0 215.249 0.225 20 0 BCADRM CCC(CC)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386530238 711031685 /nfs/dbraw/zinc/03/16/85/711031685.db2.gz ZIJKQBHWWYBVBV-NSHDSACASA-N -1 0 229.276 0.471 20 0 BCADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000386521794 711032084 /nfs/dbraw/zinc/03/20/84/711032084.db2.gz XVTLDVXPSMCKPB-HAYRHPOISA-N -1 0 239.271 0.081 20 0 BCADRM CO[C@@H](CN=c1[n-]nc(C)o1)C(F)(F)F ZINC000389982207 711102147 /nfs/dbraw/zinc/10/21/47/711102147.db2.gz JRBOOHKKGHXULN-YFKPBYRVSA-N -1 0 225.170 0.789 20 0 BCADRM Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)nn1 ZINC000396524883 711222042 /nfs/dbraw/zinc/22/20/42/711222042.db2.gz OTZKNEUNCFWGLR-GFCCVEGCSA-N -1 0 249.270 0.768 20 0 BCADRM CC(C)(C)[C@H](CO)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397023160 711375573 /nfs/dbraw/zinc/37/55/73/711375573.db2.gz IRJSCFXGMLRMCP-VGMNWLOBSA-N -1 0 243.303 0.620 20 0 BCADRM C[C@@H](O)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397100129 711376852 /nfs/dbraw/zinc/37/68/52/711376852.db2.gz OVPONMJMKGQWKS-KDXUFGMBSA-N -1 0 229.276 0.373 20 0 BCADRM Cc1nnc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])s1 ZINC000397329581 711380888 /nfs/dbraw/zinc/38/08/88/711380888.db2.gz SLRUPWAXRBQZTP-PHDIDXHHSA-N -1 0 241.272 0.896 20 0 BCADRM CC(C)OCCNC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000397451418 711382719 /nfs/dbraw/zinc/38/27/19/711382719.db2.gz KGHFWECHLBRVGC-RKDXNWHRSA-N -1 0 229.276 0.638 20 0 BCADRM CC(C)(C)[C@@H](CO)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397521022 711385127 /nfs/dbraw/zinc/38/51/27/711385127.db2.gz IRJSCFXGMLRMCP-HRDYMLBCSA-N -1 0 243.303 0.620 20 0 BCADRM C[C@@H](CCO)CCNc1cc(C(=O)[O-])ncn1 ZINC000397696445 711389189 /nfs/dbraw/zinc/38/91/89/711389189.db2.gz FNGFLKSNEISCGC-MRVPVSSYSA-N -1 0 239.275 0.417 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397776801 711391129 /nfs/dbraw/zinc/39/11/29/711391129.db2.gz NBJHTBYZWXMKMV-LURQLKTLSA-N -1 0 226.276 0.899 20 0 BCADRM C[C@@H](O)C[C@H](C)CNc1cc(C(=O)[O-])ncn1 ZINC000397818764 711393364 /nfs/dbraw/zinc/39/33/64/711393364.db2.gz GKUNWGOQIFNLHD-JGVFFNPUSA-N -1 0 239.275 0.416 20 0 BCADRM C[C@@H]1CN(C(=O)[C@H]2CCOC2)CC[C@H]1C(=O)[O-] ZINC000304461024 711453570 /nfs/dbraw/zinc/45/35/70/711453570.db2.gz ZYSATPYERZFZDV-KXUCPTDWSA-N -1 0 241.287 0.592 20 0 BCADRM CC1(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)CC1 ZINC000711546765 711464050 /nfs/dbraw/zinc/46/40/50/711464050.db2.gz VEAZDQOHCJPJFU-NSHDSACASA-N -1 0 227.260 0.489 20 0 BCADRM CO[N-]C(=O)Cn1cnc2ccccc21 ZINC000070273828 711479237 /nfs/dbraw/zinc/47/92/37/711479237.db2.gz VOVCIVCRNGJDKM-UHFFFAOYSA-N -1 0 205.217 0.714 20 0 BCADRM CCSCC[C@@H](C)NC(=O)[C@H](OC)C(=O)[O-] ZINC000713214574 711485103 /nfs/dbraw/zinc/48/51/03/711485103.db2.gz DFGNYUSMEGUJTR-SFYZADRCSA-N -1 0 249.332 0.734 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N(C)[C@@H](C)CCSC ZINC000713220471 711485107 /nfs/dbraw/zinc/48/51/07/711485107.db2.gz YRVDQJXBKCRNRR-YUMQZZPRSA-N -1 0 249.332 0.686 20 0 BCADRM C[C@@]1(CO)CCCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000723044156 711497920 /nfs/dbraw/zinc/49/79/20/711497920.db2.gz SBSQIOUUNGQJGQ-PTRXPTGYSA-N -1 0 241.287 0.471 20 0 BCADRM Cc1nc(N[C@@H](C)CO)ncc1C(=O)[O-] ZINC000134360223 711500369 /nfs/dbraw/zinc/50/03/69/711500369.db2.gz CUMMYMKFAJBXBV-YFKPBYRVSA-N -1 0 211.221 0.276 20 0 BCADRM Cc1nc(NCC(C)(C)CO)ncc1C(=O)[O-] ZINC000134372161 711501006 /nfs/dbraw/zinc/50/10/06/711501006.db2.gz UHITVNHAXPTHFG-UHFFFAOYSA-N -1 0 239.275 0.914 20 0 BCADRM CO[N-]C(=O)[C@@](C)(O)c1ccc(F)cc1 ZINC000038524265 711532112 /nfs/dbraw/zinc/53/21/12/711532112.db2.gz UJMZOMNSRSELQX-JTQLQIEISA-N -1 0 213.208 0.711 20 0 BCADRM CO[C@@H]1CC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000724172112 711566512 /nfs/dbraw/zinc/56/65/12/711566512.db2.gz ABUXSSXTXXCGIV-BZNPZCIMSA-N -1 0 227.260 0.343 20 0 BCADRM CO[C@H]1CC[C@@H]1N(C)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000724182442 711566519 /nfs/dbraw/zinc/56/65/19/711566519.db2.gz MHVJIPLBSISBKH-KATARQTJSA-N -1 0 241.287 0.733 20 0 BCADRM CO[C@H]1CC[C@@H]1N(C)C(=O)C(C)(C)C(=O)[O-] ZINC000724189148 711567814 /nfs/dbraw/zinc/56/78/14/711567814.db2.gz PWXYLKVUKSMFLZ-YUMQZZPRSA-N -1 0 229.276 0.733 20 0 BCADRM CO[C@H]1CC[C@@H]1N(C)c1cc(C(=O)[O-])ncn1 ZINC000724194106 711568318 /nfs/dbraw/zinc/56/83/18/711568318.db2.gz PUYNJPQBSMRTBT-IUCAKERBSA-N -1 0 237.259 0.788 20 0 BCADRM COCCO[N-]C(=O)Cn1cnc2ccccc21 ZINC000135129290 711592277 /nfs/dbraw/zinc/59/22/77/711592277.db2.gz IDJMLMBVNJIULP-UHFFFAOYSA-N -1 0 249.270 0.731 20 0 BCADRM C[C@H](O)CN(C)C(=O)CCCC(=O)[O-] ZINC000051820059 711595339 /nfs/dbraw/zinc/59/53/39/711595339.db2.gz IJWWQHRNDKPUML-ZETCQYMHSA-N -1 0 203.238 0.081 20 0 BCADRM C[C@H](Nc1ncnc2c1cnn2C)[C@H](C)C(=O)[O-] ZINC000133398583 711637933 /nfs/dbraw/zinc/63/79/33/711637933.db2.gz IILQBMYYIKYQNB-BQBZGAKWSA-N -1 0 249.274 0.884 20 0 BCADRM COCC(=O)NC1CC(CC(=O)[O-])C1 ZINC000718092044 711643053 /nfs/dbraw/zinc/64/30/53/711643053.db2.gz BWZZMSYVMCDNPL-UHFFFAOYSA-N -1 0 201.222 0.002 20 0 BCADRM Cc1nc(N2CCOC[C@@H]2C)ncc1C(=O)[O-] ZINC000134341238 711643151 /nfs/dbraw/zinc/64/31/51/711643151.db2.gz LTGBXBDSEBKDPA-ZETCQYMHSA-N -1 0 237.259 0.708 20 0 BCADRM COCCC(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000382231411 711643371 /nfs/dbraw/zinc/64/33/71/711643371.db2.gz DBABJQFGYVIRIN-DTWKUNHWSA-N -1 0 229.276 0.783 20 0 BCADRM Cc1nc(NCC2(CO)CC2)ncc1C(=O)[O-] ZINC000134372277 711643394 /nfs/dbraw/zinc/64/33/94/711643394.db2.gz 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349483075 /nfs/dbraw/zinc/48/30/75/349483075.db2.gz YVCLMPOOOLAMTQ-VIFPVBQESA-N -1 0 249.270 0.640 20 0 BCADRM O=C(NCC[C@H]1CCCOC1)c1cc(=O)[nH][n-]1 ZINC000628305149 349496904 /nfs/dbraw/zinc/49/69/04/349496904.db2.gz NQXLRHNOFNBGIE-MRVPVSSYSA-N -1 0 239.275 0.662 20 0 BCADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc[nH]n2)C1 ZINC000062913647 349501596 /nfs/dbraw/zinc/50/15/96/349501596.db2.gz RXOIHKIVKCVSGD-JTQLQIEISA-N -1 0 223.232 0.347 20 0 BCADRM CC(C)C[C@@H](Nc1nnnn1C)C(=O)[O-] ZINC000062938662 349502343 /nfs/dbraw/zinc/50/23/43/349502343.db2.gz WVGJKGFAAZNKCX-ZCFIWIBFSA-N -1 0 213.241 0.121 20 0 BCADRM Cc1cc(CNC(=O)N(C)[C@@H](C)C(=O)[O-])on1 ZINC000054067879 178012756 /nfs/dbraw/zinc/01/27/56/178012756.db2.gz SMBHOXQDEMYARS-ZETCQYMHSA-N -1 0 241.247 0.598 20 0 BCADRM CO[C@H](C)CCNS(=O)(=O)c1ncc[n-]1 ZINC000389988855 398154838 /nfs/dbraw/zinc/15/48/38/398154838.db2.gz NHNAAIKHKZQYHP-SSDOTTSWSA-N -1 0 233.293 0.113 20 0 BCADRM O=C([O-])c1coc(N2CCC[C@@H](O)CC2)n1 ZINC000378728044 346816802 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ZINC000154715533 385348239 /nfs/dbraw/zinc/34/82/39/385348239.db2.gz OYQCZTVZYOXCFR-UHFFFAOYSA-N -1 0 244.291 0.130 20 0 BCADRM C[C@@H]1CCN(c2ccc(C(=O)[O-])cn2)[C@H]1CO ZINC000299975232 385375490 /nfs/dbraw/zinc/37/54/90/385375490.db2.gz QACAJSDKMRYGJT-SCZZXKLOSA-N -1 0 236.271 0.987 20 0 BCADRM COCC(C)(C)NS(=O)(=O)c1ncc[n-]1 ZINC000309159508 385440772 /nfs/dbraw/zinc/44/07/72/385440772.db2.gz YMDDUTOFXSBICZ-UHFFFAOYSA-N -1 0 233.293 0.113 20 0 BCADRM CCC[C@H]1C[C@@H](C(=O)[N-]S(C)(=O)=O)CCO1 ZINC000182515963 385453396 /nfs/dbraw/zinc/45/33/96/385453396.db2.gz QDDQPBDYDIZWMC-IUCAKERBSA-N -1 0 249.332 0.658 20 0 BCADRM CC(C)[C@@H](NC(=O)C1CCOCC1)C(=O)[O-] ZINC000020249949 385453731 /nfs/dbraw/zinc/45/37/31/385453731.db2.gz JXXUNEALRXRZQA-SECBINFHSA-N -1 0 229.276 0.638 20 0 BCADRM COC(=O)NCC(=O)[N-]OCC(C)C ZINC000156502539 385454996 /nfs/dbraw/zinc/45/49/96/385454996.db2.gz LJYNCDDNSCZNPM-UHFFFAOYSA-N -1 0 204.226 0.046 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)c1ncnc2nc[nH]c21 ZINC000054054895 385436731 /nfs/dbraw/zinc/43/67/31/385436731.db2.gz NXACMISSXMBSDX-YFKPBYRVSA-N -1 0 221.220 0.262 20 0 BCADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cccnn2)C1 ZINC000257697472 385488249 /nfs/dbraw/zinc/48/82/49/385488249.db2.gz NSBAXBKHLMREKD-SFYZADRCSA-N -1 0 235.243 0.460 20 0 BCADRM Cc1conc1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000257648499 385483671 /nfs/dbraw/zinc/48/36/71/385483671.db2.gz BKBGEMDOSODRBG-SFYZADRCSA-N -1 0 238.243 0.966 20 0 BCADRM Cc1conc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000257651901 385487079 /nfs/dbraw/zinc/48/70/79/385487079.db2.gz BXXBDCSQZPTCIS-SFYZADRCSA-N -1 0 238.243 0.966 20 0 BCADRM Cc1conc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000257680869 385487482 /nfs/dbraw/zinc/48/74/82/385487482.db2.gz LAADTWXLNJKTMK-SSDOTTSWSA-N -1 0 226.232 0.822 20 0 BCADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cccnn1 ZINC000257742617 385495795 /nfs/dbraw/zinc/49/57/95/385495795.db2.gz YJTXXEMWHDBYSQ-SFYZADRCSA-N -1 0 235.243 0.460 20 0 BCADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cccnn1 ZINC000257697922 385489105 /nfs/dbraw/zinc/48/91/05/385489105.db2.gz NTRIDWPHLPUQKU-JTQLQIEISA-N -1 0 249.270 0.946 20 0 BCADRM CS(=O)(=O)N1CCc2cccc(C(=O)[O-])c21 ZINC000282265440 385548993 /nfs/dbraw/zinc/54/89/93/385548993.db2.gz SPCYTWPZZQXXLL-UHFFFAOYSA-N -1 0 241.268 0.707 20 0 BCADRM C[C@H](NC(=O)c1cnc(C2CC2)[nH]1)C(=O)[O-] ZINC000309348395 385546385 /nfs/dbraw/zinc/54/63/85/385546385.db2.gz MHNXFLZQMBDUDL-YFKPBYRVSA-N -1 0 223.232 0.490 20 0 BCADRM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)C(=O)[O-] ZINC000309302752 385525248 /nfs/dbraw/zinc/52/52/48/385525248.db2.gz VXCZFUOTERFJPK-BDAKNGLRSA-N -1 0 229.276 0.613 20 0 BCADRM Cn1nc(C(=O)[O-])cc1C(=O)NC1CCCC1 ZINC000258162146 385548435 /nfs/dbraw/zinc/54/84/35/385548435.db2.gz QTUQLVCALZVQFR-UHFFFAOYSA-N -1 0 237.259 0.791 20 0 BCADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCCCC1 ZINC000258200947 385553912 /nfs/dbraw/zinc/55/39/12/385553912.db2.gz VJYMVVJAYVAKEV-UHFFFAOYSA-N -1 0 237.259 0.744 20 0 BCADRM O=C(C=Cc1ccc[nH]1)NCCc1nc(=O)o[n-]1 ZINC000493213567 385556045 /nfs/dbraw/zinc/55/60/45/385556045.db2.gz DQYXAOCOXOBBFX-ONEGZZNKSA-N -1 0 248.242 0.063 20 0 BCADRM CO[C@@H]1CCC[C@@H](C(=O)[N-]S(C)(=O)=O)C1 ZINC000408126796 385558125 /nfs/dbraw/zinc/55/81/25/385558125.db2.gz SDYDFULYXRFKEA-HTQZYQBOSA-N -1 0 235.305 0.267 20 0 BCADRM O=C([O-])CCC(=O)NCCC1(O)CCC1 ZINC000336677033 385606260 /nfs/dbraw/zinc/60/62/60/385606260.db2.gz ASOTZBXCUYGMAA-UHFFFAOYSA-N -1 0 215.249 0.273 20 0 BCADRM CC(C)=CCNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000229355704 385602780 /nfs/dbraw/zinc/60/27/80/385602780.db2.gz VCRYYRICRPMRAS-UHFFFAOYSA-N -1 0 238.247 0.059 20 0 BCADRM CCO[N-]C(=O)[C@@H](c1cncn1C)N(C)C ZINC000280878651 385615027 /nfs/dbraw/zinc/61/50/27/385615027.db2.gz ZBOOYRCWCPALPW-SECBINFHSA-N -1 0 226.280 0.091 20 0 BCADRM CC(=O)CCC(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000337378713 385631563 /nfs/dbraw/zinc/63/15/63/385631563.db2.gz BILPZUPSWUBBRD-SSDOTTSWSA-N -1 0 239.279 0.131 20 0 BCADRM CC[C@H](NC(=O)C(=O)[O-])[C@H]1CCCO1 ZINC000336681984 385638990 /nfs/dbraw/zinc/63/89/90/385638990.db2.gz HZWRDNHXRJHCMJ-NKWVEPMBSA-N -1 0 201.222 0.145 20 0 BCADRM CCO[N-]C(=O)[C@H](OC)c1cnn(C)c1 ZINC000281200653 385645331 /nfs/dbraw/zinc/64/53/31/385645331.db2.gz KEIYUWZLLQGTMC-MRVPVSSYSA-N -1 0 213.237 0.175 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)C(=O)CCc1cnn(C)c1 ZINC000263268670 385666295 /nfs/dbraw/zinc/66/62/95/385666295.db2.gz HUGAPQLFRDPOMD-QMMMGPOBSA-N -1 0 239.275 0.284 20 0 BCADRM CC[C@@H](C)[C@@H](NC(=O)c1cncnc1)C(=O)[O-] ZINC000229798465 385674371 /nfs/dbraw/zinc/67/43/71/385674371.db2.gz JMQPFLLZVCEBOH-VXNVDRBHSA-N -1 0 237.259 0.706 20 0 BCADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cncnc1 ZINC000229799318 385674510 /nfs/dbraw/zinc/67/45/10/385674510.db2.gz ZXNCBFCLPIRMLO-MRVPVSSYSA-N -1 0 237.259 0.802 20 0 BCADRM CC(C)C[C@@H](NC(=O)c1cncnc1)C(=O)[O-] ZINC000229798307 385675088 /nfs/dbraw/zinc/67/50/88/385675088.db2.gz BZOBQIWISOZIHM-SECBINFHSA-N -1 0 237.259 0.706 20 0 BCADRM CN(CC(F)F)S(=O)(=O)c1ncc[n-]1 ZINC000308456563 385690851 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385835068 /nfs/dbraw/zinc/83/50/68/385835068.db2.gz ALZJLGXKFVCBJE-SECBINFHSA-N -1 0 239.275 0.811 20 0 BCADRM CO[C@@H]1CCC[C@@H](CC(=O)[N-]S(C)(=O)=O)C1 ZINC000408478292 385837477 /nfs/dbraw/zinc/83/74/77/385837477.db2.gz CHASKUPDEJFCQX-RKDXNWHRSA-N -1 0 249.332 0.658 20 0 BCADRM O=C([O-])C(=O)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000354979433 385842561 /nfs/dbraw/zinc/84/25/61/385842561.db2.gz IKTUYWFQFVERTB-MRVPVSSYSA-N -1 0 246.226 0.095 20 0 BCADRM CO[C@@](C)(C(=O)NCC(=O)[O-])c1ccccc1 ZINC000262391785 385843649 /nfs/dbraw/zinc/84/36/49/385843649.db2.gz AJVWUXBDTLOMJW-GFCCVEGCSA-N -1 0 237.255 0.749 20 0 BCADRM Cn1cccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1=O ZINC000262364408 385843997 /nfs/dbraw/zinc/84/39/97/385843997.db2.gz DSTKPXATZLJQNI-NKWVEPMBSA-N -1 0 236.227 0.045 20 0 BCADRM CCc1ccc(NC(=O)Cc2nnn[n-]2)cc1 ZINC000095177783 385850840 /nfs/dbraw/zinc/85/08/40/385850840.db2.gz WAVWCZZUEIAUDM-UHFFFAOYSA-N -1 0 231.259 0.943 20 0 BCADRM CO[C@H](C)CS(=O)(=O)[N-]c1nncs1 ZINC000284142524 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385900972 /nfs/dbraw/zinc/90/09/72/385900972.db2.gz GHARHESDAHXIFU-BQBZGAKWSA-N -1 0 240.263 0.339 20 0 BCADRM CS(=O)(=O)[N-]c1cncc(N2CCCC2)n1 ZINC000285167133 385902657 /nfs/dbraw/zinc/90/26/57/385902657.db2.gz SYPQFAFJFNUKJJ-UHFFFAOYSA-N -1 0 242.304 0.448 20 0 BCADRM CC(C)(NC(=O)[C@@H]1C[C@H]1C(F)F)c1nnn[n-]1 ZINC000338174341 385909119 /nfs/dbraw/zinc/90/91/19/385909119.db2.gz JQWPYMJQZJWFFY-RFZPGFLSSA-N -1 0 245.233 0.452 20 0 BCADRM C[C@@H](CC(=O)[O-])NC(=O)COCC(F)(F)F ZINC000123867984 385920091 /nfs/dbraw/zinc/92/00/91/385920091.db2.gz UADOPIAUGODHIQ-YFKPBYRVSA-N -1 0 243.181 0.545 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)NC1CCSCC1 ZINC000121990351 385874406 /nfs/dbraw/zinc/87/44/06/385874406.db2.gz LBLXCRVUUDALML-SSDOTTSWSA-N -1 0 246.332 0.997 20 0 BCADRM CO[C@H](C)c1nc(=NC(=O)CSC)s[n-]1 ZINC000338012982 385879890 /nfs/dbraw/zinc/87/98/90/385879890.db2.gz ATTGRXHNJSCCHS-RXMQYKEDSA-N -1 0 247.345 0.969 20 0 BCADRM COC(C)(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000338412082 385995169 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ZINC000253027968 135119122 /nfs/dbraw/zinc/11/91/22/135119122.db2.gz OUQKFNCPRUWTLT-BWZBUEFSSA-N -1 0 231.317 0.965 20 0 BCADRM O=C([O-])CCNS(=O)(=O)CCC1CCCC1 ZINC000263182734 135125193 /nfs/dbraw/zinc/12/51/93/135125193.db2.gz LVBHHQUPCSEBGC-UHFFFAOYSA-N -1 0 249.332 0.961 20 0 BCADRM CSCC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263361548 135126996 /nfs/dbraw/zinc/12/69/96/135126996.db2.gz SBJOWYOIYOCSJQ-HTQZYQBOSA-N -1 0 231.317 0.919 20 0 BCADRM C[C@H](Nc1cc(NC2CC2)ncn1)C(=O)[O-] ZINC000258667332 135133111 /nfs/dbraw/zinc/13/31/11/135133111.db2.gz OFGMXDOHNZZVGO-LURJTMIESA-N -1 0 222.248 0.936 20 0 BCADRM COCCCC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000087420597 135136347 /nfs/dbraw/zinc/13/63/47/135136347.db2.gz NHWUYHAHQQIBGA-SECBINFHSA-N -1 0 215.249 0.392 20 0 BCADRM COCCCC(=O)N[C@H](CCOC)C(=O)[O-] ZINC000087420579 135136385 /nfs/dbraw/zinc/13/63/85/135136385.db2.gz MMSQLYKBZBPOKP-MRVPVSSYSA-N -1 0 233.264 0.019 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)CCCOC ZINC000087420545 135136779 /nfs/dbraw/zinc/13/67/79/135136779.db2.gz NEHFICOPPWAHOQ-UHFFFAOYSA-N -1 0 217.265 0.736 20 0 BCADRM COC[C@@H](C)CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000087420458 135137053 /nfs/dbraw/zinc/13/70/53/135137053.db2.gz AJYLEJIVCOYCCB-DTWKUNHWSA-N -1 0 229.276 0.735 20 0 BCADRM COC[C@H](C)CC(=O)N(C)CCCC(=O)[O-] ZINC000087420493 135137059 /nfs/dbraw/zinc/13/70/59/135137059.db2.gz ZEORLZWPDHZJDR-SECBINFHSA-N -1 0 231.292 0.982 20 0 BCADRM COCCCC(=O)N[C@H](C)CC(=O)[O-] ZINC000087420497 135137079 /nfs/dbraw/zinc/13/70/79/135137079.db2.gz AWJIUJGTOMCBJE-SSDOTTSWSA-N -1 0 203.238 0.392 20 0 BCADRM COC[C@H](C)CC(=O)N(C)CC(=O)[O-] ZINC000087420466 135137118 /nfs/dbraw/zinc/13/71/18/135137118.db2.gz BVXIBYUKIICPRI-SSDOTTSWSA-N -1 0 203.238 0.202 20 0 BCADRM C[C@H](CNC(=O)Cc1ccon1)C(=O)[O-] ZINC000257634257 135137417 /nfs/dbraw/zinc/13/74/17/135137417.db2.gz NBNWAHDEBSPTOZ-ZCFIWIBFSA-N -1 0 212.205 0.054 20 0 BCADRM C[C@@H](CN(C)C(=O)[C@@H]1CCO[C@H](C)C1)C(=O)[O-] ZINC000257634336 135137573 /nfs/dbraw/zinc/13/75/73/135137573.db2.gz OYSGZRXWJKZFRL-IVZWLZJFSA-N -1 0 243.303 0.981 20 0 BCADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000257706027 135140078 /nfs/dbraw/zinc/14/00/78/135140078.db2.gz PXYCAYLAEDHEGU-SSDOTTSWSA-N -1 0 224.216 0.150 20 0 BCADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC000257694420 135140122 /nfs/dbraw/zinc/14/01/22/135140122.db2.gz NBLNYLBXGWANQH-JGVFFNPUSA-N -1 0 238.243 0.587 20 0 BCADRM CC(C)=CC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000087506457 135148724 /nfs/dbraw/zinc/14/87/24/135148724.db2.gz ZSNDNORGNPWFLX-VIFPVBQESA-N -1 0 227.260 0.655 20 0 BCADRM CCO[C@H](C)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000261527808 135153024 /nfs/dbraw/zinc/15/30/24/135153024.db2.gz HLCGMFXGQLVAIE-NKWVEPMBSA-N -1 0 203.238 0.343 20 0 BCADRM O=C([O-])CCNS(=O)(=O)CCC1CC1 ZINC000261528023 135153053 /nfs/dbraw/zinc/15/30/53/135153053.db2.gz IVKSITIHJPBHQF-UHFFFAOYSA-N -1 0 221.278 0.181 20 0 BCADRM Cc1c[nH]cc1C(=O)NC[C@H](C)C(=O)[O-] ZINC000261529916 135156826 /nfs/dbraw/zinc/15/68/26/135156826.db2.gz BTOIPOGOXXMWOB-ZETCQYMHSA-N -1 0 210.233 0.774 20 0 BCADRM COCC[C@@H](NC(=O)[C@@H](C)SC)C(=O)[O-] ZINC000261529884 135157004 /nfs/dbraw/zinc/15/70/04/135157004.db2.gz BQUJADHAYQNFOE-RNFRBKRXSA-N -1 0 235.305 0.344 20 0 BCADRM Cc1ccsc1S(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000261530344 135157174 /nfs/dbraw/zinc/15/71/74/135157174.db2.gz CNHLXEHGUCTIHP-ZCFIWIBFSA-N -1 0 249.313 0.808 20 0 BCADRM C/C=C/C[C@@H](NC(=O)COC)C(=O)[O-] ZINC000261530223 135157490 /nfs/dbraw/zinc/15/74/90/135157490.db2.gz YHWOXLDARXYLFJ-KGGZQZJCSA-N -1 0 201.222 0.168 20 0 BCADRM C[C@H](Nc1cn[nH]c(=O)c1Cl)C(=O)[O-] ZINC000261530413 135157493 /nfs/dbraw/zinc/15/74/93/135157493.db2.gz ZQPBEEVXNWWGSK-VKHMYHEASA-N -1 0 217.612 0.308 20 0 BCADRM COC[C@H](C)C(=O)NCCSCC(=O)[O-] ZINC000261530771 135159238 /nfs/dbraw/zinc/15/92/38/135159238.db2.gz CZQMBJOQJXTJJI-ZETCQYMHSA-N -1 0 235.305 0.203 20 0 BCADRM CO[C@@H](C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000261531812 135161625 /nfs/dbraw/zinc/16/16/25/135161625.db2.gz HXXKNAOWVUDODH-ZETCQYMHSA-N -1 0 217.265 0.638 20 0 BCADRM CC[C@H](C)CS(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000261532145 135162729 /nfs/dbraw/zinc/16/27/29/135162729.db2.gz JJANRBWMJQOFCR-YUMQZZPRSA-N -1 0 237.321 0.767 20 0 BCADRM CO[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC000261532695 135163194 /nfs/dbraw/zinc/16/31/94/135163194.db2.gz CJHCACNBCHWVPB-UYXSQOIJSA-N -1 0 227.260 0.391 20 0 BCADRM CS[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000261533295 135165073 /nfs/dbraw/zinc/16/50/73/135165073.db2.gz KQPSEJYJTCOIGH-RCOVLWMOSA-N -1 0 249.357 0.814 20 0 BCADRM CSC[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000261533898 135165570 /nfs/dbraw/zinc/16/55/70/135165570.db2.gz KYKQGZHHSPTSOF-JGVFFNPUSA-N -1 0 247.316 0.298 20 0 BCADRM Cc1cc(CC(=O)N[C@H](C)C(=O)[O-])no1 ZINC000261534423 135167061 /nfs/dbraw/zinc/16/70/61/135167061.db2.gz MIVIBCCMQVYTBF-ZCFIWIBFSA-N -1 0 212.205 0.115 20 0 BCADRM CC[C@@H](OC)C(=O)NCCSCC(=O)[O-] ZINC000261535092 135168586 /nfs/dbraw/zinc/16/85/86/135168586.db2.gz NSXNPKOMCWPVMB-SSDOTTSWSA-N -1 0 235.305 0.345 20 0 BCADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCSCC1 ZINC000261536171 135171690 /nfs/dbraw/zinc/17/16/90/135171690.db2.gz QQGUWECCYVJAJT-HTQZYQBOSA-N -1 0 229.301 0.673 20 0 BCADRM C[C@@](O)(CNC(=O)C1(C)CCC1)C(=O)[O-] ZINC000261536692 135171899 /nfs/dbraw/zinc/17/18/99/135171899.db2.gz SMUUJADTYUPJFD-SNVBAGLBSA-N -1 0 215.249 0.128 20 0 BCADRM COCCC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000261536914 135172674 /nfs/dbraw/zinc/17/26/74/135172674.db2.gz UFOWWWZLFWUZDU-SSDOTTSWSA-N -1 0 215.249 0.487 20 0 BCADRM CC[C@@H]1CC[C@H](C(=O)N(C)CC(=O)[O-])O1 ZINC000261537158 135173778 /nfs/dbraw/zinc/17/37/78/135173778.db2.gz VANHULMXKKTIBT-HTQZYQBOSA-N -1 0 215.249 0.487 20 0 BCADRM CS[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000261538847 135176950 /nfs/dbraw/zinc/17/69/50/135176950.db2.gz ZOMPSCPPBSAWGF-MUWHJKNJSA-N -1 0 233.289 0.098 20 0 BCADRM Cc1cc(C(=O)N(CC(=O)[O-])C(C)C)nn1C ZINC000261540716 135180472 /nfs/dbraw/zinc/18/04/72/135180472.db2.gz HKOFXJDMUXGFPB-UHFFFAOYSA-N -1 0 239.275 0.664 20 0 BCADRM CCC(CC)(NC(=O)[C@@H](C)OC)C(=O)[O-] ZINC000163798179 135191284 /nfs/dbraw/zinc/19/12/84/135191284.db2.gz KRQIJWZBLWCGRS-SSDOTTSWSA-N -1 0 217.265 0.781 20 0 BCADRM CSCCCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000261561184 135201659 /nfs/dbraw/zinc/20/16/59/135201659.db2.gz ALFHDUQMPKJYPQ-MRVPVSSYSA-N -1 0 247.316 0.442 20 0 BCADRM O=C(COCC1CC1)N[C@H](C(=O)[O-])C1CC1 ZINC000261562921 135204811 /nfs/dbraw/zinc/20/48/11/135204811.db2.gz BTETTXZSCLRNNF-JTQLQIEISA-N -1 0 227.260 0.392 20 0 BCADRM CC(C)OCC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000261563841 135206242 /nfs/dbraw/zinc/20/62/42/135206242.db2.gz CBZQJDNLFNBNKG-JTQLQIEISA-N -1 0 233.239 0.437 20 0 BCADRM C[C@H](CNC(=O)Cc1ccon1)CC(=O)[O-] ZINC000261564785 135206809 /nfs/dbraw/zinc/20/68/09/135206809.db2.gz CRDHJLICTOIZDU-ZETCQYMHSA-N -1 0 226.232 0.444 20 0 BCADRM CCCSCC(=O)N[C@@H](CCOC)C(=O)[O-] ZINC000261568887 135211057 /nfs/dbraw/zinc/21/10/57/135211057.db2.gz FXMSUTVVRLAMSE-QMMMGPOBSA-N -1 0 249.332 0.736 20 0 BCADRM CC[C@@H](C)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000261570436 135212438 /nfs/dbraw/zinc/21/24/38/135212438.db2.gz GYJYMDDAXIUDOK-ZCFIWIBFSA-N -1 0 223.232 0.703 20 0 BCADRM CC[C@H](C)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000261570435 135212490 /nfs/dbraw/zinc/21/24/90/135212490.db2.gz GYJYMDDAXIUDOK-LURJTMIESA-N -1 0 223.232 0.703 20 0 BCADRM CCOc1ncccc1C(=O)NCC(=O)[O-] ZINC000164191399 135215996 /nfs/dbraw/zinc/21/59/96/135215996.db2.gz BRDPJXFKSDEOIZ-UHFFFAOYSA-N -1 0 224.216 0.295 20 0 BCADRM CC(C)(CCO)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000261575841 135216480 /nfs/dbraw/zinc/21/64/80/135216480.db2.gz JXNSNXPOUDDSSL-SFYZADRCSA-N -1 0 229.276 0.374 20 0 BCADRM C[C@H](C(=O)[O-])N(C(=O)[C@H]1CCOC1)C1CC1 ZINC000261576969 135218683 /nfs/dbraw/zinc/21/86/83/135218683.db2.gz KSBHQJSTZHDNFR-SFYZADRCSA-N -1 0 227.260 0.487 20 0 BCADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CCSC ZINC000261581723 135222445 /nfs/dbraw/zinc/22/24/45/135222445.db2.gz NUMMCWMKZCIFLK-SNVBAGLBSA-N -1 0 249.332 0.736 20 0 BCADRM CC[C@H](OC)C(=O)N[C@@H](CCOC)C(=O)[O-] ZINC000261581405 135222521 /nfs/dbraw/zinc/22/25/21/135222521.db2.gz NOHSUFTXRVDLQB-YUMQZZPRSA-N -1 0 233.264 0.017 20 0 BCADRM C/C=C/C[C@@H](NC(=O)C(C)(C)OC)C(=O)[O-] ZINC000261582073 135222562 /nfs/dbraw/zinc/22/25/62/135222562.db2.gz OBVPVQPNZRGDTB-HQZHTGGTSA-N -1 0 229.276 0.947 20 0 BCADRM Nc1ncnc(N2CCC[C@H]2C(=O)[O-])c1Cl ZINC000261582363 135223265 /nfs/dbraw/zinc/22/32/65/135223265.db2.gz OGHJQDOOXGUTMO-YFKPBYRVSA-N -1 0 242.666 0.766 20 0 BCADRM CC[C@H](CNC(=O)NCCCC(=O)[O-])OC ZINC000261586452 135227787 /nfs/dbraw/zinc/22/77/87/135227787.db2.gz RBYDIZGLHJZSFQ-MRVPVSSYSA-N -1 0 232.280 0.575 20 0 BCADRM CC(C)OCC(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000261586496 135227802 /nfs/dbraw/zinc/22/78/02/135227802.db2.gz RCTMLWCBBKJZLZ-VIFPVBQESA-N -1 0 229.276 0.781 20 0 BCADRM CC[C@@H]1CC[C@H](C(=O)NCCCC(=O)[O-])O1 ZINC000261587659 135228119 /nfs/dbraw/zinc/22/81/19/135228119.db2.gz RXQGQJYQIZHKGG-RKDXNWHRSA-N -1 0 229.276 0.925 20 0 BCADRM CC[C@H]1CC[C@H](C(=O)NCCCC(=O)[O-])O1 ZINC000261587657 135228688 /nfs/dbraw/zinc/22/86/88/135228688.db2.gz RXQGQJYQIZHKGG-DTWKUNHWSA-N -1 0 229.276 0.925 20 0 BCADRM CC(C)CN1CCN(CCC(=O)[O-])CC1=O ZINC000261587988 135229056 /nfs/dbraw/zinc/22/90/56/135229056.db2.gz SCFGZMLEHSTCNC-UHFFFAOYSA-N -1 0 228.292 0.261 20 0 BCADRM C[C@@H]1CC[C@@H](C(=O)NCCSCC(=O)[O-])O1 ZINC000261589350 135230282 /nfs/dbraw/zinc/23/02/82/135230282.db2.gz TVTFNBZNMUZWGE-SFYZADRCSA-N -1 0 247.316 0.488 20 0 BCADRM O=C([O-])[C@H](NC(=O)C1CC1)[C@@H]1CCCOC1 ZINC000261590001 135230768 /nfs/dbraw/zinc/23/07/68/135230768.db2.gz UHJBGPKBDPZTKJ-RKDXNWHRSA-N -1 0 227.260 0.392 20 0 BCADRM NCC(F)(F)C[N-]S(=O)(=O)c1ccco1 ZINC000261591105 135231895 /nfs/dbraw/zinc/23/18/95/135231895.db2.gz VAKHOAMVCUBKET-UHFFFAOYSA-N -1 0 240.231 0.152 20 0 BCADRM CCO[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000261591397 135231978 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C[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000048722823 411212451 /nfs/dbraw/zinc/21/24/51/411212451.db2.gz KGRAMBAODBOSBB-LURJTMIESA-N -1 0 210.237 0.382 20 0 BCADRM CC(C)c1n[nH]cc1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656231765 411215318 /nfs/dbraw/zinc/21/53/18/411215318.db2.gz OISRYWZMPLFKNC-SSDOTTSWSA-N -1 0 239.275 0.984 20 0 BCADRM CN(Cc1ccoc1)C(=O)c1n[nH]c(=O)[n-]1 ZINC000048753028 411215509 /nfs/dbraw/zinc/21/55/09/411215509.db2.gz ZKMNCVPBFPPSDT-UHFFFAOYSA-N -1 0 222.204 0.376 20 0 BCADRM C[C@@](O)(CNC(=O)C1CC2(CC2)C1)C(=O)[O-] ZINC000659767181 411215563 /nfs/dbraw/zinc/21/55/63/411215563.db2.gz SANOXHNDPDBKLP-SNVBAGLBSA-N -1 0 227.260 0.128 20 0 BCADRM CCO[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000049043295 411223665 /nfs/dbraw/zinc/22/36/65/411223665.db2.gz QJNIIVNZOMXIQY-ZETCQYMHSA-N -1 0 240.263 0.151 20 0 BCADRM C[C@H](CNC(=O)[C@]1(C)C[C@H]1F)CC(=O)[O-] ZINC000399457460 411231577 /nfs/dbraw/zinc/23/15/77/411231577.db2.gz KHIBZIYTGUYYRR-NYNCVSEMSA-N -1 0 217.240 0.962 20 0 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585016141 /nfs/dbraw/zinc/01/61/41/585016141.db2.gz LGLPUTSTHPKKMB-DTORHVGOSA-N -1 0 244.291 0.670 20 0 BCADRM C[C@@H]1CN(C(=O)CCCNC(=O)[O-])CCO1 ZINC000736804490 585016152 /nfs/dbraw/zinc/01/61/52/585016152.db2.gz DGUUGHWNSGGBAP-MRVPVSSYSA-N -1 0 230.264 0.282 20 0 BCADRM C[C@H]1COCCN1C(=O)CCCNC(=O)[O-] ZINC000736820663 585016705 /nfs/dbraw/zinc/01/67/05/585016705.db2.gz DYJZGWLAMCAGEC-QMMMGPOBSA-N -1 0 230.264 0.282 20 0 BCADRM C[C@@H]1COC[C@@H](C)N1C(=O)CCNC(=O)[O-] ZINC000736820693 585016776 /nfs/dbraw/zinc/01/67/76/585016776.db2.gz GEMAMIFNPISULO-HTQZYQBOSA-N -1 0 230.264 0.280 20 0 BCADRM CCC(=O)[C@H](C)OC(=O)CCNC(=O)[O-] ZINC000736836262 585017071 /nfs/dbraw/zinc/01/70/71/585017071.db2.gz REUSDOBDWJQTAO-LURJTMIESA-N -1 0 217.221 0.555 20 0 BCADRM C[C@H]1SCCN(C(=O)CCNC(=O)[O-])[C@@H]1C ZINC000736837911 585017097 /nfs/dbraw/zinc/01/70/97/585017097.db2.gz OZUKCDSISYILMI-HTQZYQBOSA-N -1 0 246.332 0.997 20 0 BCADRM C[C@@H]1SCCN(C(=O)CNC(=O)[O-])[C@H]1C ZINC000736836010 585017126 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ZINC000736937080 585019963 /nfs/dbraw/zinc/01/99/63/585019963.db2.gz FHLPUVBERRVLGE-BDAKNGLRSA-N -1 0 244.291 0.670 20 0 BCADRM CCCC(=O)COC(=O)CN(C)C(=O)[O-] ZINC000736947299 585019983 /nfs/dbraw/zinc/01/99/83/585019983.db2.gz AGWIGRMGQPYXNO-UHFFFAOYSA-N -1 0 217.221 0.509 20 0 BCADRM CCCC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736951491 585020106 /nfs/dbraw/zinc/02/01/06/585020106.db2.gz GZWPOJFVMYFZDS-UHFFFAOYSA-N -1 0 212.209 0.170 20 0 BCADRM CCC[C@@](C)(NC(=O)c1ncccn1)C(=O)[O-] ZINC000736960240 585020538 /nfs/dbraw/zinc/02/05/38/585020538.db2.gz NVEVGBMLGJWVOK-LLVKDONJSA-N -1 0 237.259 0.850 20 0 BCADRM CCC[C@@](C)(NC(=O)c1nonc1C)C(=O)[O-] ZINC000736960100 585020612 /nfs/dbraw/zinc/02/06/12/585020612.db2.gz KSLDNQVQKQNBIG-SNVBAGLBSA-N -1 0 241.247 0.751 20 0 BCADRM CCC[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)OC ZINC000736963984 585020660 /nfs/dbraw/zinc/02/06/60/585020660.db2.gz BEZPTJRBCDDKON-HTQZYQBOSA-N -1 0 245.275 0.555 20 0 BCADRM CCCCNC(=S)N1CCO[C@H](C(=O)[O-])C1 ZINC000736998403 585022019 /nfs/dbraw/zinc/02/20/19/585022019.db2.gz JYANOLZUZPHVPB-QMMMGPOBSA-N -1 0 246.332 0.446 20 0 BCADRM CCCCOCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000736999634 585022063 /nfs/dbraw/zinc/02/20/63/585022063.db2.gz UDMITCKLPDPGAT-UHFFFAOYSA-N -1 0 244.291 0.625 20 0 BCADRM CCCCOC(=O)[C@@H](C)N(C)CC(=O)[O-] ZINC000736998997 585022069 /nfs/dbraw/zinc/02/20/69/585022069.db2.gz SCNBVKHMQCUVCZ-MRVPVSSYSA-N -1 0 217.265 0.735 20 0 BCADRM CCCOCC(=O)OCCNC(=O)[O-] ZINC000737027998 585022827 /nfs/dbraw/zinc/02/28/27/585022827.db2.gz LHQPZCHWLRACAC-UHFFFAOYSA-N -1 0 205.210 0.224 20 0 BCADRM CCCOCCOC(=O)CNC(=O)[O-] ZINC000737027984 585022830 /nfs/dbraw/zinc/02/28/30/585022830.db2.gz JXIPHFLJWHBNAP-UHFFFAOYSA-N -1 0 205.210 0.224 20 0 BCADRM CCCOC(=O)[C@@H](C)N1CCO[C@@H](C(=O)[O-])C1 ZINC000737029808 585022927 /nfs/dbraw/zinc/02/29/27/585022927.db2.gz NIBRUOKVESJFGI-RKDXNWHRSA-N -1 0 245.275 0.114 20 0 BCADRM CCN(C(=O)CCNC(=O)[O-])C1CC1 ZINC000737053870 585023814 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CC(=O)COC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000823539216 587230193 /nfs/dbraw/zinc/23/01/93/587230193.db2.gz VSHAPVCDFVYRDD-HTQZYQBOSA-N -1 0 229.232 0.555 20 0 BCADRM CC(=O)COC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000823537134 587230251 /nfs/dbraw/zinc/23/02/51/587230251.db2.gz FKEXOMIXPUUOJF-UHFFFAOYSA-N -1 0 241.199 0.793 20 0 BCADRM CCCO[N-]C(=O)[C@@H]1CCCN(C2CC2)C1=O ZINC000823608514 587232646 /nfs/dbraw/zinc/23/26/46/587232646.db2.gz MEWKNYVIXPYVKL-JTQLQIEISA-N -1 0 240.303 0.845 20 0 BCADRM C[C@H](C(=O)NC1CN(C(=O)[O-])C1)C(F)(F)F ZINC000823686565 587235984 /nfs/dbraw/zinc/23/59/84/587235984.db2.gz PXKKZZRTCDSFGC-SCSAIBSYSA-N -1 0 240.181 0.663 20 0 BCADRM C[C@@H](C(=O)N[C@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000823688080 587236517 /nfs/dbraw/zinc/23/65/17/587236517.db2.gz YYOIUXJXDSMVLU-APPZFPTMSA-N -1 0 226.276 0.901 20 0 BCADRM C[C@H](C(=O)OCCNC(=O)[O-])c1cnn(C)c1 ZINC000823732489 587238509 /nfs/dbraw/zinc/23/85/09/587238509.db2.gz VNFFOPAOLPYJKX-ZETCQYMHSA-N -1 0 241.247 0.334 20 0 BCADRM CC(C)(C)[C@@H](O)CNC(=O)CCNC(=O)[O-] ZINC000823760580 587239790 /nfs/dbraw/zinc/23/97/90/587239790.db2.gz SWALKUBGAOTWBV-ZETCQYMHSA-N -1 0 232.280 0.167 20 0 BCADRM c1cnc(-c2nn[nH]n2)c(NCCC2CC2)n1 ZINC000823809327 587240928 /nfs/dbraw/zinc/24/09/28/587240928.db2.gz KZWKXAWSBDIBRW-UHFFFAOYSA-N -1 0 231.263 0.869 20 0 BCADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCOCC1 ZINC000823843291 587242253 /nfs/dbraw/zinc/24/22/53/587242253.db2.gz AUSAJYXMIZOTRQ-MRVPVSSYSA-N -1 0 244.291 0.528 20 0 BCADRM CC(C)(CNC(=O)C1(O)CCCC1)NC(=O)[O-] ZINC000823900465 587245432 /nfs/dbraw/zinc/24/54/32/587245432.db2.gz MKTLYQCJZFXOBG-UHFFFAOYSA-N -1 0 244.291 0.454 20 0 BCADRM CC(C)(CNC(=O)C1=COCCC1)NC(=O)[O-] ZINC000823900870 587245475 /nfs/dbraw/zinc/24/54/75/587245475.db2.gz YMNSTNIJDDDJGC-UHFFFAOYSA-N -1 0 242.275 0.843 20 0 BCADRM CC(C)(CNC(=O)[C@@]1(C)CCCO1)NC(=O)[O-] ZINC000823900329 587245611 /nfs/dbraw/zinc/24/56/11/587245611.db2.gz IDZPPHJDLHYFBC-LLVKDONJSA-N -1 0 244.291 0.718 20 0 BCADRM CC(C)(CCO)CNC(=O)CCNC(=O)[O-] ZINC000823895050 587245617 /nfs/dbraw/zinc/24/56/17/587245617.db2.gz KTNACLGWNUTUNT-UHFFFAOYSA-N -1 0 232.280 0.169 20 0 BCADRM CC(C)(CNC(=O)[O-])C(=O)NC[C@@H]1CCCO1 ZINC000823957158 587246878 /nfs/dbraw/zinc/24/68/78/587246878.db2.gz WWXUNBPTLYIRFF-QMMMGPOBSA-N -1 0 244.291 0.575 20 0 BCADRM CC(C)(CNC(=O)[O-])C(=O)NC1CC1 ZINC000823952711 587247003 /nfs/dbraw/zinc/24/70/03/587247003.db2.gz SNNFWYWMWFECGG-UHFFFAOYSA-N -1 0 200.238 0.559 20 0 BCADRM CC(C)(CNC(=O)[O-])C(=O)NCc1ccc[nH]1 ZINC000823960945 587247220 /nfs/dbraw/zinc/24/72/20/587247220.db2.gz VLQQUSSZDGIRLC-UHFFFAOYSA-N -1 0 239.275 0.925 20 0 BCADRM CC(C)(CNC(=O)[O-])NC(=O)NCC1CC1 ZINC000823985948 587247803 /nfs/dbraw/zinc/24/78/03/587247803.db2.gz IPUNMELYBVCCCV-UHFFFAOYSA-N -1 0 229.280 0.742 20 0 BCADRM CC(C)(CNC(=O)[O-])C(=O)OC[C@H]1CCOC1 ZINC000823973345 587247877 /nfs/dbraw/zinc/24/78/77/587247877.db2.gz QBYKRHWWMFWEHI-QMMMGPOBSA-N -1 0 245.275 0.860 20 0 BCADRM CC(C)(CO)CCCNC(=O)CCNC(=O)[O-] ZINC000824015212 587248240 /nfs/dbraw/zinc/24/82/40/587248240.db2.gz IGHOSCRWMSMSPN-UHFFFAOYSA-N -1 0 246.307 0.559 20 0 BCADRM CC(C)(CO)CNC(=O)CCCNC(=O)[O-] ZINC000824016463 587248716 /nfs/dbraw/zinc/24/87/16/587248716.db2.gz WWBBJNYOTMKZCN-UHFFFAOYSA-N -1 0 232.280 0.169 20 0 BCADRM CC(C)(O)C(=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000824034802 587249875 /nfs/dbraw/zinc/24/98/75/587249875.db2.gz HOHOFMHSOQXWQB-SSDOTTSWSA-N -1 0 231.248 0.300 20 0 BCADRM CC(C)(O)CNC(=O)C1CCN(C(=O)[O-])CC1 ZINC000824035368 587250325 /nfs/dbraw/zinc/25/03/25/587250325.db2.gz PINKHBPHTCFMIM-UHFFFAOYSA-N -1 0 244.291 0.264 20 0 BCADRM CCCO[N-]C(=O)[C@@]1(C)CCN(C)C1=O ZINC000824041636 587250804 /nfs/dbraw/zinc/25/08/04/587250804.db2.gz MXXWWULFCDHYAX-SNVBAGLBSA-N -1 0 214.265 0.313 20 0 BCADRM CC(C)C(=O)COC(=O)CC1CN(C(=O)[O-])C1 ZINC000824038617 587250945 /nfs/dbraw/zinc/25/09/45/587250945.db2.gz HHKKMSYXZBOQQV-UHFFFAOYSA-N -1 0 243.259 0.755 20 0 BCADRM CC(C)=C(C)C(=O)NCCNC(=O)[O-] ZINC000824038591 587250996 /nfs/dbraw/zinc/25/09/96/587250996.db2.gz GTTANBBNRZOYGO-UHFFFAOYSA-N -1 0 200.238 0.727 20 0 BCADRM CC(C)C(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000824042651 587251578 /nfs/dbraw/zinc/25/15/78/587251578.db2.gz ANBSZSWPPWDDOV-DTWKUNHWSA-N -1 0 244.291 0.526 20 0 BCADRM O=C(N[C@@H](CO)CCF)c1cccc(F)c1[O-] ZINC000824053391 587252138 /nfs/dbraw/zinc/25/21/38/587252138.db2.gz SFZKDTMKWWXXIP-SSDOTTSWSA-N -1 0 245.225 0.982 20 0 BCADRM CC(C)[C@](C)(O)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000824064856 587253019 /nfs/dbraw/zinc/25/30/19/587253019.db2.gz PGEBYJLHSXGNEN-LLVKDONJSA-N -1 0 246.307 0.556 20 0 BCADRM CC(C)[C@@H](CCO)NC(=O)CCNC(=O)[O-] ZINC000824105555 587256114 /nfs/dbraw/zinc/25/61/14/587256114.db2.gz XTAIASXLKCXXER-MRVPVSSYSA-N -1 0 232.280 0.167 20 0 BCADRM CC(C)[C@@H](O)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000824144147 587258078 /nfs/dbraw/zinc/25/80/78/587258078.db2.gz SLPILLLZPIEGPV-ZETCQYMHSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)[C@H](CNCc1cn(C)nn1)NC(=O)[O-] ZINC000824124403 587257303 /nfs/dbraw/zinc/25/73/03/587257303.db2.gz XNKXPEULDZFCBO-VIFPVBQESA-N -1 0 241.295 0.197 20 0 BCADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCCCC(N)=O ZINC000824144387 587257557 /nfs/dbraw/zinc/25/75/57/587257557.db2.gz XKCIVWRLCDWUAH-QMMMGPOBSA-N -1 0 246.263 0.087 20 0 BCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCC(F)F ZINC000824135727 587257704 /nfs/dbraw/zinc/25/77/04/587257704.db2.gz GWLWGVZVWOONIG-ZCFIWIBFSA-N -1 0 224.207 0.660 20 0 BCADRM CC(C)[C@@H](O)CNC(=O)C(C)(C)CNC(=O)[O-] ZINC000824144117 587258162 /nfs/dbraw/zinc/25/81/62/587258162.db2.gz SFOURVKOVRCVEI-QMMMGPOBSA-N -1 0 246.307 0.413 20 0 BCADRM CC(C)C1(CNC(=O)CNC(=O)[O-])CC1 ZINC000824149737 587258324 /nfs/dbraw/zinc/25/83/24/587258324.db2.gz IISNQEOXNIALJU-UHFFFAOYSA-N -1 0 214.265 0.806 20 0 BCADRM CC(C)[C@H](O)CNC(=O)CCCN(C)C(=O)[O-] ZINC000824149308 587258569 /nfs/dbraw/zinc/25/85/69/587258569.db2.gz FIWMRIQSDVRANT-SECBINFHSA-N -1 0 246.307 0.510 20 0 BCADRM CC(C)[C@H](O)CNC(=O)CC1CN(C(=O)[O-])C1 ZINC000824149500 587258682 /nfs/dbraw/zinc/25/86/82/587258682.db2.gz GTSVGIUTFJIPFG-SECBINFHSA-N -1 0 244.291 0.119 20 0 BCADRM CC(C)CC(=O)COC(=O)[C@H](C)NC(=O)[O-] ZINC000824165575 587258757 /nfs/dbraw/zinc/25/87/57/587258757.db2.gz ZPDLNYAHSQDUNO-ZETCQYMHSA-N -1 0 231.248 0.801 20 0 BCADRM CC(C)[C@H]1OCC[C@H]1CNC(=O)CNC(=O)[O-] ZINC000824163821 587259117 /nfs/dbraw/zinc/25/91/17/587259117.db2.gz AOLINDJDQHLUDY-WCBMZHEXSA-N -1 0 244.291 0.431 20 0 BCADRM CC(C)[C@@H]1CN(C(=O)CNC(=O)[O-])CCS1 ZINC000824158653 587259126 /nfs/dbraw/zinc/25/91/26/587259126.db2.gz SSWKFHRNKPOIPE-QMMMGPOBSA-N -1 0 246.332 0.854 20 0 BCADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](O)C1 ZINC000824211026 587260544 /nfs/dbraw/zinc/26/05/44/587260544.db2.gz LRVVNEKKHDXNED-DTWKUNHWSA-N -1 0 244.291 0.262 20 0 BCADRM CC(C)C[C@H](O)CNC(=O)C[C@H](C)NC(=O)[O-] ZINC000824219488 587260757 /nfs/dbraw/zinc/26/07/57/587260757.db2.gz UYHPORHCMDBYKT-IUCAKERBSA-N -1 0 246.307 0.556 20 0 BCADRM CC(C)C[C@@H](O)CNC(=O)[C@H](C)NC(=O)[O-] ZINC000824217989 587260846 /nfs/dbraw/zinc/26/08/46/587260846.db2.gz JLFOZBUASZRNFF-JGVFFNPUSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)CN(C)C(=O)COC1CN(C(=O)[O-])C1 ZINC000824251558 587263281 /nfs/dbraw/zinc/26/32/81/587263281.db2.gz KEDAFLLVSLZVBC-UHFFFAOYSA-N -1 0 244.291 0.480 20 0 BCADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NC[C@@H](C)O ZINC000824291523 587264884 /nfs/dbraw/zinc/26/48/84/587264884.db2.gz BLWOEUVPHADQKZ-SFYZADRCSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)N(C)C(=O)NCCCNC(=O)[O-] ZINC000824324190 587266557 /nfs/dbraw/zinc/26/65/57/587266557.db2.gz RGQSLLSJESXCRI-UHFFFAOYSA-N -1 0 217.269 0.694 20 0 BCADRM CC(C)N(CCC(=O)NCCCO)C(=O)[O-] ZINC000824336600 587266850 /nfs/dbraw/zinc/26/68/50/587266850.db2.gz WGAWHJCTERZEJW-UHFFFAOYSA-N -1 0 232.280 0.264 20 0 BCADRM CC(C)NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824367637 587267163 /nfs/dbraw/zinc/26/71/63/587267163.db2.gz GLQIDUOWKRIMRP-YUMQZZPRSA-N -1 0 214.265 0.947 20 0 BCADRM CC(C)NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000824367946 587267576 /nfs/dbraw/zinc/26/75/76/587267576.db2.gz IHRJDVZMZMOILD-SECBINFHSA-N -1 0 218.228 0.603 20 0 BCADRM C[C@@H](C1CC1)N(C)c1ccc(-c2nn[nH]n2)nn1 ZINC000824378037 587267988 /nfs/dbraw/zinc/26/79/88/587267988.db2.gz WPCSGWAMHAHXBS-ZETCQYMHSA-N -1 0 245.290 0.891 20 0 BCADRM CC(C)OC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000824387074 587268607 /nfs/dbraw/zinc/26/86/07/587268607.db2.gz BHOMIZHQYWBXHG-SSDOTTSWSA-N -1 0 217.221 0.317 20 0 BCADRM CC(C)OCC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000824393898 587268913 /nfs/dbraw/zinc/26/89/13/587268913.db2.gz LPYXDEQMPBWFGP-VIFPVBQESA-N -1 0 244.291 0.670 20 0 BCADRM CC(C)OCCCNC(=O)C1(NC(=O)[O-])CC1 ZINC000824398123 587269116 /nfs/dbraw/zinc/26/91/16/587269116.db2.gz APZQOAFTVICDII-UHFFFAOYSA-N -1 0 244.291 0.718 20 0 BCADRM CC(C)OCC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000824392699 587269161 /nfs/dbraw/zinc/26/91/61/587269161.db2.gz BPMKXGIDUYOQFF-SECBINFHSA-N -1 0 244.291 0.622 20 0 BCADRM C[C@@H](CCO)CNc1ccc(-c2nn[nH]n2)nn1 ZINC000824405879 587269778 /nfs/dbraw/zinc/26/97/78/587269778.db2.gz ARGIHHKEWNYHDT-ZETCQYMHSA-N -1 0 249.278 0.087 20 0 BCADRM C[C@H](CC(=O)N(C)C[C@H](O)C1CC1)NC(=O)[O-] ZINC000824550034 587275470 /nfs/dbraw/zinc/27/54/70/587275470.db2.gz DSIZKYZYWQLXRO-APPZFPTMSA-N -1 0 244.291 0.262 20 0 BCADRM C[C@H](CC(=O)N(C)[C@@H]1CCOC1)NC(=O)[O-] ZINC000824549499 587275548 /nfs/dbraw/zinc/27/55/48/587275548.db2.gz BIFVHWHUDWGIJY-HTQZYQBOSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@H](CC(=O)N(C)c1cn[nH]c1)NC(=O)[O-] ZINC000824557158 587276097 /nfs/dbraw/zinc/27/60/97/587276097.db2.gz CWNKIPVBJYFZSO-ZCFIWIBFSA-N -1 0 226.236 0.419 20 0 BCADRM C[C@H](CC(=O)N1CC[C@@](C)(O)C1)NC(=O)[O-] ZINC000824565784 587276608 /nfs/dbraw/zinc/27/66/08/587276608.db2.gz RMHUILPPJPNXMA-GMSGAONNSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@@H](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)NC(=O)[O-] ZINC000824565841 587276697 /nfs/dbraw/zinc/27/66/97/587276697.db2.gz SJDBOIFVCOSQRL-XHNCKOQMSA-N -1 0 244.291 0.668 20 0 BCADRM C[C@H](CC(=O)N1CCC[C@H](O)C1)NC(=O)[O-] ZINC000824582721 587278096 /nfs/dbraw/zinc/27/80/96/587278096.db2.gz QDMXGAQXRVLRPL-SFYZADRCSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@@H](CC(=O)N1CCCOCC1)NC(=O)[O-] ZINC000824589723 587278387 /nfs/dbraw/zinc/27/83/87/587278387.db2.gz GTLGLALOKBDGLM-QMMMGPOBSA-N -1 0 230.264 0.282 20 0 BCADRM C[C@H](CC(=O)N1CCOC(C)(C)C1)NC(=O)[O-] ZINC000824599366 587278749 /nfs/dbraw/zinc/27/87/49/587278749.db2.gz NIQYQYSRHUTTAO-MRVPVSSYSA-N -1 0 244.291 0.670 20 0 BCADRM C[C@H](CC(=O)N1CCO[C@H](C)C1)NC(=O)[O-] ZINC000824600285 587278765 /nfs/dbraw/zinc/27/87/65/587278765.db2.gz WHZFYYODSVCGKD-HTQZYQBOSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@H](CC(=O)N1CCO[C@@H](C)C1)NC(=O)[O-] ZINC000824600287 587278878 /nfs/dbraw/zinc/27/88/78/587278878.db2.gz WHZFYYODSVCGKD-SFYZADRCSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@@H](CC(=O)N[C@@H](C)C(C)(C)O)NC(=O)[O-] ZINC000824605628 587278986 /nfs/dbraw/zinc/27/89/86/587278986.db2.gz KMGVKIHNEMSOTL-BQBZGAKWSA-N -1 0 232.280 0.308 20 0 BCADRM CC(C)[C@H](CCO)NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824614468 587279334 /nfs/dbraw/zinc/27/93/34/587279334.db2.gz JORFHZUSTWYCRB-BDAKNGLRSA-N -1 0 246.307 0.556 20 0 BCADRM C[C@H](CC(=O)NC1CC=CC1)NC(=O)[O-] ZINC000824615554 587279417 /nfs/dbraw/zinc/27/94/17/587279417.db2.gz UTHAPEBYHMHIFL-SSDOTTSWSA-N -1 0 212.249 0.867 20 0 BCADRM C[C@H](CC(=O)N[C@@H]1CCC[C@H](O)C1)NC(=O)[O-] ZINC000824614700 587279440 /nfs/dbraw/zinc/27/94/40/587279440.db2.gz NBRPKEZRHLZLMK-HLTSFMKQSA-N -1 0 244.291 0.452 20 0 BCADRM C[C@H](CC(=O)NC1CCOCC1)NC(=O)[O-] ZINC000824623037 587279965 /nfs/dbraw/zinc/27/99/65/587279965.db2.gz RJYIZVDWNHKCAA-SSDOTTSWSA-N -1 0 230.264 0.328 20 0 BCADRM C[C@@H](CC(=O)NCC(F)F)NC(=O)[O-] ZINC000824627903 587280190 /nfs/dbraw/zinc/28/01/90/587280190.db2.gz AQRLSBGYQDAQDJ-BYPYZUCNSA-N -1 0 210.180 0.414 20 0 BCADRM C[C@@H](CC(=O)NC[C@@]1(C)CCCO1)NC(=O)[O-] ZINC000824628063 587280249 /nfs/dbraw/zinc/28/02/49/587280249.db2.gz CYSRZFWNORLNRX-GZMMTYOYSA-N -1 0 244.291 0.718 20 0 BCADRM C[C@H](CC(=O)NCCc1ccco1)NC(=O)[O-] ZINC000824654680 587281152 /nfs/dbraw/zinc/28/11/52/587281152.db2.gz GRAWCJIPSJHIQH-MRVPVSSYSA-N -1 0 240.259 0.985 20 0 BCADRM C[C@@H](CC(=O)NCc1ncccn1)NC(=O)[O-] ZINC000824671302 587281760 /nfs/dbraw/zinc/28/17/60/587281760.db2.gz FWDFBWNVZWDMQW-ZETCQYMHSA-N -1 0 238.247 0.139 20 0 BCADRM C[C@@H](CC(=O)NCc1cnn(C)c1)NC(=O)[O-] ZINC000824664612 587281791 /nfs/dbraw/zinc/28/17/91/587281791.db2.gz NLRRHBJTGABRFK-ZETCQYMHSA-N -1 0 240.263 0.083 20 0 BCADRM C[C@@H](CC(=O)NCc1cccn1C)NC(=O)[O-] ZINC000824664270 587281827 /nfs/dbraw/zinc/28/18/27/587281827.db2.gz JUEGGAFJGSBVEZ-QMMMGPOBSA-N -1 0 239.275 0.688 20 0 BCADRM C[C@H](CC(=O)N[C@@H]1C=C[C@H](CO)C1)NC(=O)[O-] ZINC000824678904 587282366 /nfs/dbraw/zinc/28/23/66/587282366.db2.gz GFLXAPYRMRXUPV-HRDYMLBCSA-N -1 0 242.275 0.086 20 0 BCADRM C[C@@H](CC(=O)Nc1cc[nH]n1)NC(=O)[O-] ZINC000824685686 587282755 /nfs/dbraw/zinc/28/27/55/587282755.db2.gz OQMABIQLVNXJRK-YFKPBYRVSA-N -1 0 212.209 0.394 20 0 BCADRM C[C@H](C[C@H](C)O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC000824698072 587283194 /nfs/dbraw/zinc/28/31/94/587283194.db2.gz ILXQJEZAGNRRDB-SFYZADRCSA-N -1 0 248.290 0.833 20 0 BCADRM C[C@H](O)C[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC000824700470 587283477 /nfs/dbraw/zinc/28/34/77/587283477.db2.gz YVHMDTIMFBWLNL-YUMQZZPRSA-N -1 0 248.290 0.833 20 0 BCADRM C[C@H](C[C@H](C)O)Nc1cccc(-c2nn[nH]n2)n1 ZINC000824699736 587283628 /nfs/dbraw/zinc/28/36/28/587283628.db2.gz VBNUZBKDGMEWOU-SFYZADRCSA-N -1 0 248.290 0.833 20 0 BCADRM C[C@H](O)CCN(C)c1cnccc1-c1nn[nH]n1 ZINC000824698582 587283635 /nfs/dbraw/zinc/28/36/35/587283635.db2.gz MKLJMHRZSPBOAE-QMMMGPOBSA-N -1 0 248.290 0.469 20 0 BCADRM C[C@@H](CC(=O)Nc1ccn(C)n1)NC(=O)[O-] ZINC000824703827 587283655 /nfs/dbraw/zinc/28/36/55/587283655.db2.gz SERHVERPFFYSOL-LURJTMIESA-N -1 0 226.236 0.405 20 0 BCADRM C[C@@H](O)C[C@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC000824698071 587283664 /nfs/dbraw/zinc/28/36/64/587283664.db2.gz ILXQJEZAGNRRDB-JGVFFNPUSA-N 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0 214.265 0.888 20 0 BCADRM C[C@H](CCCO)NC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000824778874 587286926 /nfs/dbraw/zinc/28/69/26/587286926.db2.gz WKYUYEYFIYXBNQ-BDAKNGLRSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@H](CCNC(=O)Cc1cc[nH]n1)NC(=O)[O-] ZINC000824785338 587287392 /nfs/dbraw/zinc/28/73/92/587287392.db2.gz FCMKSDGOBBHSEZ-SSDOTTSWSA-N -1 0 240.263 0.115 20 0 BCADRM C[C@@H](CCNC(=O)NCC(F)F)NC(=O)[O-] ZINC000824795174 587287731 /nfs/dbraw/zinc/28/77/31/587287731.db2.gz ZHJOXKXRNIUFFJ-YFKPBYRVSA-N -1 0 239.222 0.597 20 0 BCADRM C[C@H](CCO)NC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824808925 587288233 /nfs/dbraw/zinc/28/82/33/587288233.db2.gz BWAFWBKKTXRXPL-RKDXNWHRSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@@H](CCO)CNC(=O)CC(C)(C)NC(=O)[O-] ZINC000824804248 587288287 /nfs/dbraw/zinc/28/82/87/587288287.db2.gz XOUWXPRCGVKWCI-QMMMGPOBSA-N -1 0 246.307 0.557 20 0 BCADRM C[C@H](CCO)CNC(=O)CCCNC(=O)[O-] ZINC000824804227 587288384 /nfs/dbraw/zinc/28/83/84/587288384.db2.gz XCGXJZCNFCLHOT-MRVPVSSYSA-N -1 0 232.280 0.169 20 0 BCADRM CC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC000824822222 587288878 /nfs/dbraw/zinc/28/88/78/587288878.db2.gz AZACFBPRVCEEKA-UHFFFAOYSA-N -1 0 246.274 0.725 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N(C)[C@H]1CCOC1 ZINC000824826345 587289329 /nfs/dbraw/zinc/28/93/29/587289329.db2.gz ZRWKWKUCLZQFGG-IUCAKERBSA-N -1 0 244.291 0.480 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC(O)CC1 ZINC000824833452 587289416 /nfs/dbraw/zinc/28/94/16/587289416.db2.gz NXUKFACHSGPYJE-QMMMGPOBSA-N -1 0 244.291 0.216 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CC[C@](C)(O)C1 ZINC000824833260 587289421 /nfs/dbraw/zinc/28/94/21/587289421.db2.gz MOYIVZZIXSECGH-KCJUWKMLSA-N -1 0 244.291 0.216 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCOC[C@H]1C ZINC000824841313 587289663 /nfs/dbraw/zinc/28/96/63/587289663.db2.gz QLNLXKMPDJVMAN-DTWKUNHWSA-N -1 0 244.291 0.480 20 0 BCADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCOC[C@@H]1C ZINC000824841312 587289745 /nfs/dbraw/zinc/28/97/45/587289745.db2.gz 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ZINC000826625716 587357096 /nfs/dbraw/zinc/35/70/96/587357096.db2.gz IBVUWPMWQAUPRQ-BDAKNGLRSA-N -1 0 246.307 0.700 20 0 BCADRM CC[C@](C)(O)C(=O)[N-]OCC1CCC1 ZINC000826627222 587357116 /nfs/dbraw/zinc/35/71/16/587357116.db2.gz GKEQHHGOWPPYKZ-JTQLQIEISA-N -1 0 201.266 0.995 20 0 BCADRM CC[C@H](OC)C(=O)NCC(C)(C)NC(=O)[O-] ZINC000826633678 587357126 /nfs/dbraw/zinc/35/71/26/587357126.db2.gz XGZVTGKWHVDADQ-ZETCQYMHSA-N -1 0 232.280 0.574 20 0 BCADRM CC[C@H](OC)C(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000826633636 587357176 /nfs/dbraw/zinc/35/71/76/587357176.db2.gz WWSIIYGTSURIKV-IUCAKERBSA-N -1 0 244.291 0.622 20 0 BCADRM CC(C)=C(C)C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000826642287 587357363 /nfs/dbraw/zinc/35/73/63/587357363.db2.gz VLDPPNWMMGCHKS-LLVKDONJSA-N -1 0 227.260 0.703 20 0 BCADRM CCC1(C(=O)NCCNC(=O)[O-])CCC1 ZINC000826638900 587357402 /nfs/dbraw/zinc/35/74/02/587357402.db2.gz IYXRCAPLKIIFSI-UHFFFAOYSA-N -1 0 214.265 0.951 20 0 BCADRM CCC1(C(=O)NCC[C@H](C)NC(=O)[O-])COC1 ZINC000826638712 587357421 /nfs/dbraw/zinc/35/74/21/587357421.db2.gz GHEUIYBTRNYKGN-QMMMGPOBSA-N -1 0 244.291 0.575 20 0 BCADRM CCC1(C(=O)N2CCN(C(=O)[O-])CC2)COC1 ZINC000826638834 587357473 /nfs/dbraw/zinc/35/74/73/587357473.db2.gz IASURXADPLNVOI-UHFFFAOYSA-N -1 0 242.275 0.235 20 0 BCADRM CC(C)(O)CNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000826636872 587357542 /nfs/dbraw/zinc/35/75/42/587357542.db2.gz RTNJSRRLFPZXHG-UHFFFAOYSA-N -1 0 238.243 0.281 20 0 BCADRM CC[C@]1(C)CCN(C(=O)CNC(=O)[O-])C1 ZINC000826644723 587357807 /nfs/dbraw/zinc/35/78/07/587357807.db2.gz KZUHVKYZELXIRL-SNVBAGLBSA-N -1 0 214.265 0.903 20 0 BCADRM CCC1(CNC(=O)CNC(=O)[O-])CCOCC1 ZINC000826650128 587357970 /nfs/dbraw/zinc/35/79/70/587357970.db2.gz PIKGJFZHNSJEBN-UHFFFAOYSA-N -1 0 244.291 0.577 20 0 BCADRM CCC1(CNC(=O)[C@@H](C)NC(=O)[O-])CC1 ZINC000826650674 587357971 /nfs/dbraw/zinc/35/79/71/587357971.db2.gz VGNGQCPEUSBXFD-SSDOTTSWSA-N -1 0 214.265 0.949 20 0 BCADRM CC[C@@H]1CC[C@@H](C(=O)NCCN(C)C(=O)[O-])O1 ZINC000826660853 587358212 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587361097 /nfs/dbraw/zinc/36/10/97/587361097.db2.gz BTQYYHWQSGJWNR-IUCAKERBSA-N -1 0 246.307 0.557 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NC[C@@H](C)CCO ZINC000826749825 587361106 /nfs/dbraw/zinc/36/11/06/587361106.db2.gz BTQYYHWQSGJWNR-DTWKUNHWSA-N -1 0 246.307 0.557 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NCc1ccon1 ZINC000826756932 587361113 /nfs/dbraw/zinc/36/11/13/587361113.db2.gz AYBWHGBLXPLPOO-MRVPVSSYSA-N -1 0 241.247 0.727 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)N1CC[C@H](O)C1 ZINC000826750073 587361204 /nfs/dbraw/zinc/36/12/04/587361204.db2.gz GENVSUVBIULQNY-YUMQZZPRSA-N -1 0 230.264 0.016 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NCC(C)(C)CO ZINC000826750477 587361205 /nfs/dbraw/zinc/36/12/05/587361205.db2.gz JFJCFMKBGJRIEF-MRVPVSSYSA-N -1 0 246.307 0.557 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NCCCF ZINC000826759064 587361414 /nfs/dbraw/zinc/36/14/14/587361414.db2.gz WHHCNNZQLQGMNA-ZETCQYMHSA-N -1 0 220.244 0.899 20 0 BCADRM CCC[C@H](O)CNC(=O)[C@H](CCC)NC(=O)[O-] ZINC000826764926 587361552 /nfs/dbraw/zinc/36/15/52/587361552.db2.gz MMVTYBDHQPCDNP-IUCAKERBSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@H](O)CNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000826764244 587361729 /nfs/dbraw/zinc/36/17/29/587361729.db2.gz HVFBWUMOQCCFRT-SFYZADRCSA-N -1 0 232.280 0.310 20 0 BCADRM CCC[C@H]1C[C@H]1NC(=O)COCCNC(=O)[O-] ZINC000826774978 587361762 /nfs/dbraw/zinc/36/17/62/587361762.db2.gz MSNACSVXCWLNOM-DTWKUNHWSA-N -1 0 244.291 0.575 20 0 BCADRM CCC[C@H]1C[C@@H]1NC(=O)CNC(=O)[O-] ZINC000826774920 587361772 /nfs/dbraw/zinc/36/17/72/587361772.db2.gz LNPGNFTVCHCCTD-BQBZGAKWSA-N -1 0 200.238 0.559 20 0 BCADRM CCC[C@@H]1C[C@@H]1NC(=O)CN(C)C(=O)[O-] ZINC000826775055 587362086 /nfs/dbraw/zinc/36/20/86/587362086.db2.gz NVXXQZFAOYOCOQ-SFYZADRCSA-N -1 0 214.265 0.901 20 0 BCADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)CCO ZINC000826800617 587362853 /nfs/dbraw/zinc/36/28/53/587362853.db2.gz NQBURHLYKSYQSP-DTWKUNHWSA-N -1 0 246.307 0.556 20 0 BCADRM CC(C)C[C@H](OC(=O)[C@@H]1COCCO1)C(=O)[O-] ZINC000826814971 587363194 /nfs/dbraw/zinc/36/31/94/587363194.db2.gz WEFPMTBEWYPEKU-IUCAKERBSA-N -1 0 246.259 0.444 20 0 BCADRM CCCCN(C)C(=O)COC1CN(C(=O)[O-])C1 ZINC000826829993 587363796 /nfs/dbraw/zinc/36/37/96/587363796.db2.gz KBYZRKFKRWNBBP-UHFFFAOYSA-N -1 0 244.291 0.624 20 0 BCADRM CCCCN(C)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000826829821 587363802 /nfs/dbraw/zinc/36/38/02/587363802.db2.gz JDZKSYDMJFECMK-DTWKUNHWSA-N -1 0 244.291 0.358 20 0 BCADRM CCCCNC(=O)C1(NC(=O)[O-])CC1 ZINC000826837352 587363899 /nfs/dbraw/zinc/36/38/99/587363899.db2.gz XMJKNZYFGRMBNP-UHFFFAOYSA-N -1 0 200.238 0.703 20 0 BCADRM CC(C)CN(C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000826870820 587364471 /nfs/dbraw/zinc/36/44/71/587364471.db2.gz ASNGBNSDLZKOTI-MRVPVSSYSA-N -1 0 237.321 0.625 20 0 BCADRM CC(C)CN(CC(N)=O)C(=O)[C@H](C)CC(=O)[O-] ZINC000826870812 587364498 /nfs/dbraw/zinc/36/44/98/587364498.db2.gz AFMYWCMDUHXXLJ-MRVPVSSYSA-N -1 0 244.291 0.067 20 0 BCADRM CCCNC(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1 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587453482 /nfs/dbraw/zinc/45/34/82/587453482.db2.gz LKXIXMGWSIKDHA-NKWVEPMBSA-N -1 0 201.222 0.986 20 0 BCADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C1=COCCO1 ZINC000828618152 587453835 /nfs/dbraw/zinc/45/38/35/587453835.db2.gz QEKQGSRAVCEPDD-NSHDSACASA-N -1 0 243.259 0.634 20 0 BCADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000828618658 587453939 /nfs/dbraw/zinc/45/39/39/587453939.db2.gz YDSDVQGKFAJKQW-JOYOIKCWSA-N -1 0 242.319 0.840 20 0 BCADRM COC(=O)[C@@H]1CN(C(=O)[O-])CC1(C)C ZINC000828640116 587454855 /nfs/dbraw/zinc/45/48/55/587454855.db2.gz JPARMOORDNWLDW-LURJTMIESA-N -1 0 201.222 0.795 20 0 BCADRM COC(=O)[C@H]1CCCCN1CCNC(=O)[O-] ZINC000828633434 587455233 /nfs/dbraw/zinc/45/52/33/587455233.db2.gz WAYURSGLXFRRNE-MRVPVSSYSA-N -1 0 230.264 0.282 20 0 BCADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1nnc[nH]1 ZINC000828652516 587455569 /nfs/dbraw/zinc/45/55/69/587455569.db2.gz OEJLTHBQGWKYGR-VIFPVBQESA-N -1 0 226.236 0.178 20 0 BCADRM CC[C@@](C)(CC(=O)[O-])NC(=S)NCCOC ZINC000828652197 587455706 /nfs/dbraw/zinc/45/57/06/587455706.db2.gz GJDVGBHXLKZUKZ-JTQLQIEISA-N -1 0 248.348 0.740 20 0 BCADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cn(C)cn1 ZINC000828645589 587455755 /nfs/dbraw/zinc/45/57/55/587455755.db2.gz RLTIOBSALRBDMB-NSHDSACASA-N -1 0 239.275 0.793 20 0 BCADRM COC(=O)CCCNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000828670140 587456553 /nfs/dbraw/zinc/45/65/53/587456553.db2.gz CBPIENITBWGMOR-SSDOTTSWSA-N -1 0 246.263 0.102 20 0 BCADRM CC[C@@](C)(NC(=O)Cc1cc(C)[nH]n1)C(=O)[O-] ZINC000828685089 587456919 /nfs/dbraw/zinc/45/69/19/587456919.db2.gz DSTSEEDOCLEJKE-LLVKDONJSA-N -1 0 239.275 0.630 20 0 BCADRM COC(=O)COC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000828688812 587457329 /nfs/dbraw/zinc/45/73/29/587457329.db2.gz LLLWBSZFXRSOEH-ZETCQYMHSA-N -1 0 247.247 0.385 20 0 BCADRM CC[C@@](C)(NC(=O)[C@@H](C)CC(=O)OC)C(=O)[O-] ZINC000828685831 587457537 /nfs/dbraw/zinc/45/75/37/587457537.db2.gz RVNMCHLSMUVMOV-WRWORJQWSA-N -1 0 245.275 0.555 20 0 BCADRM CC[C@@](C)(NC(=O)[C@@H](C)CC(=O)[O-])C(=O)OC ZINC000828685882 587457584 /nfs/dbraw/zinc/45/75/84/587457584.db2.gz SFSVRKOOKIUBIM-WRWORJQWSA-N -1 0 245.275 0.555 20 0 BCADRM CC[C@H](C)C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000828700022 587457776 /nfs/dbraw/zinc/45/77/76/587457776.db2.gz FFXRDACFOSWSAJ-XLPZGREQSA-N -1 0 228.244 0.866 20 0 BCADRM CC[C@H](C)C(=O)COC(=O)CCNC(=O)[O-] ZINC000828700564 587457819 /nfs/dbraw/zinc/45/78/19/587457819.db2.gz NOTGAOINTMVUDQ-ZETCQYMHSA-N -1 0 231.248 0.803 20 0 BCADRM COC(=O)[C@@H](C)NC(=O)CCCN(C)C(=O)[O-] ZINC000828722675 587458677 /nfs/dbraw/zinc/45/86/77/587458677.db2.gz BWERPNYCDSCUEJ-SSDOTTSWSA-N -1 0 246.263 0.054 20 0 BCADRM CC[C@H](C)[C@@H](O)CNC(=O)CCNC(=O)[O-] ZINC000828738878 587459848 /nfs/dbraw/zinc/45/98/48/587459848.db2.gz PPZYADNHFTVMBQ-YUMQZZPRSA-N -1 0 232.280 0.167 20 0 BCADRM CC[C@H](C)[C@H](O)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000828738940 587459898 /nfs/dbraw/zinc/45/98/98/587459898.db2.gz QAQQATIPKTVLIU-JGVFFNPUSA-N -1 0 246.307 0.556 20 0 BCADRM CC[C@@H](C[C@@H](C)CO)NC(=O)CNC(=O)[O-] ZINC000828770111 587460853 /nfs/dbraw/zinc/46/08/53/587460853.db2.gz CMGMDJNGIWPIGO-SFYZADRCSA-N -1 0 232.280 0.167 20 0 BCADRM CC[C@H](C[C@H](C)CO)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000828770866 587460852 /nfs/dbraw/zinc/46/08/52/587460852.db2.gz VZLULUASHBAQEA-JXUBOQSCSA-N -1 0 243.303 0.620 20 0 BCADRM CC[C@H](C[C@@H](C)CO)NC(=O)CN(C)C(=O)[O-] ZINC000828770553 587461233 /nfs/dbraw/zinc/46/12/33/587461233.db2.gz RKBSADOYRNIVND-RKDXNWHRSA-N -1 0 246.307 0.510 20 0 BCADRM CC[C@H](C[C@H](C)CO)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000828770868 587461352 /nfs/dbraw/zinc/46/13/52/587461352.db2.gz VZLULUASHBAQEA-QCLAVDOMSA-N -1 0 243.303 0.620 20 0 BCADRM COC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828817905 587463691 /nfs/dbraw/zinc/46/36/91/587463691.db2.gz PXFPCBDVHYQOTK-MRVPVSSYSA-N -1 0 244.291 0.622 20 0 BCADRM COC(C)(C)CNC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000828817836 587463746 /nfs/dbraw/zinc/46/37/46/587463746.db2.gz OGRSUBKYDFBAEV-MRVPVSSYSA-N -1 0 244.291 0.670 20 0 BCADRM COC(C)(C)CN(C)C(=O)CNC(=O)[O-] ZINC000828817366 587463934 /nfs/dbraw/zinc/46/39/34/587463934.db2.gz LEHNZVPYVHFSNQ-UHFFFAOYSA-N -1 0 218.253 0.137 20 0 BCADRM CO[C@H](C)COC(=O)C(C)(C)CNC(=O)[O-] ZINC000828823572 587464190 /nfs/dbraw/zinc/46/41/90/587464190.db2.gz DDXPTTFPXOXBOQ-SSDOTTSWSA-N -1 0 233.264 0.858 20 0 BCADRM CO[C@@H](C)COC(=O)[C@@H](C)NC(=O)[O-] ZINC000828823865 587464239 /nfs/dbraw/zinc/46/42/39/587464239.db2.gz JWFHWBWMCFFCNX-NTSWFWBYSA-N -1 0 205.210 0.221 20 0 BCADRM CO[C@@H](C)COC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000828823427 587464359 /nfs/dbraw/zinc/46/43/59/587464359.db2.gz AUCPRIWFRKXOIE-YUMQZZPRSA-N -1 0 233.264 0.810 20 0 BCADRM CCOCCO[N-]C(=O)C1(C(=O)C2CC2)CC1 ZINC000828822934 587464466 /nfs/dbraw/zinc/46/44/66/587464466.db2.gz SOVGWVHBMYWSTQ-UHFFFAOYSA-N -1 0 241.287 0.830 20 0 BCADRM CO[C@@H](C)CCNC(=O)CC1CN(C(=O)[O-])C1 ZINC000828823466 587464477 /nfs/dbraw/zinc/46/44/77/587464477.db2.gz BHAWEDNIWXHDQC-QMMMGPOBSA-N -1 0 244.291 0.528 20 0 BCADRM CO[C@@H](C)C(=O)OC1(C)CN(C(=O)[O-])C1 ZINC000828824128 587464624 /nfs/dbraw/zinc/46/46/24/587464624.db2.gz OUEGDYFUTRQZAC-LURJTMIESA-N -1 0 217.221 0.317 20 0 BCADRM CO[C@@H](C)COC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828824542 587464725 /nfs/dbraw/zinc/46/47/25/587464725.db2.gz RVNVJPBIRGRJFK-KWQFWETISA-N -1 0 245.275 0.955 20 0 BCADRM CO[C@@H](C)COC(=O)C1CCN(C(=O)[O-])CC1 ZINC000828830588 587465120 /nfs/dbraw/zinc/46/51/20/587465120.db2.gz LIOSEBSEHISLBO-QMMMGPOBSA-N -1 0 245.275 0.955 20 0 BCADRM CO[C@H](C)COC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828830088 587465137 /nfs/dbraw/zinc/46/51/37/587465137.db2.gz IOAVOYFNDILFNS-SFYZADRCSA-N -1 0 231.248 0.564 20 0 BCADRM CO[C@@H](CNC(=O)[C@@H](C)NC(=O)[O-])C(C)(C)C ZINC000828836066 587465476 /nfs/dbraw/zinc/46/54/76/587465476.db2.gz LNFZCXPUOAZOGL-SFYZADRCSA-N -1 0 246.307 0.820 20 0 BCADRM CO[C@@H]1C[C@H](NC(=O)CNC(=O)[O-])C1(C)C ZINC000828874141 587465495 /nfs/dbraw/zinc/46/54/95/587465495.db2.gz GMNZAZNZZGQOFJ-NKWVEPMBSA-N -1 0 230.264 0.184 20 0 BCADRM CO[C@H](CNC(=O)C[C@@H](C)NC(=O)[O-])C(C)C ZINC000828844990 587465930 /nfs/dbraw/zinc/46/59/30/587465930.db2.gz YILHMXFGMHXEQG-RKDXNWHRSA-N -1 0 246.307 0.820 20 0 BCADRM COCC(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C ZINC000828880069 587468368 /nfs/dbraw/zinc/46/83/68/587468368.db2.gz GAMRBZBJBBZSMG-VIFPVBQESA-N -1 0 246.307 0.774 20 0 BCADRM COCC(C)(C)NC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828885589 587468538 /nfs/dbraw/zinc/46/85/38/587468538.db2.gz ISMGIPFUIADIOW-MRVPVSSYSA-N -1 0 246.307 0.774 20 0 BCADRM COCC(C)(C)NC(=O)C[C@H](C)NC(=O)[O-] ZINC000828885919 587468749 /nfs/dbraw/zinc/46/87/49/587468749.db2.gz QCBPSBRNTUTDKI-ZETCQYMHSA-N -1 0 232.280 0.574 20 0 BCADRM COC[C@H](C)CC(=O)O[C@@H]1CCN(C(=O)[O-])C1 ZINC000828898033 587469007 /nfs/dbraw/zinc/46/90/07/587469007.db2.gz XFLLMRJPNWFQJI-RKDXNWHRSA-N -1 0 245.275 0.955 20 0 BCADRM COC[C@H](C)CC(=O)OCCN(C)C(=O)[O-] ZINC000828897646 587469363 /nfs/dbraw/zinc/46/93/63/587469363.db2.gz UJWBWCRQKWGTBO-MRVPVSSYSA-N -1 0 233.264 0.812 20 0 BCADRM COC[C@@H](C)CC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000828897268 587469576 /nfs/dbraw/zinc/46/95/76/587469576.db2.gz QKEABVQYAXBQKD-DTWKUNHWSA-N -1 0 246.307 0.774 20 0 BCADRM COC[C@@H](C)CC(=O)OC1(C)CN(C(=O)[O-])C1 ZINC000828897056 587469695 /nfs/dbraw/zinc/46/96/95/587469695.db2.gz OHRGOVGVTKFLEK-QMMMGPOBSA-N -1 0 245.275 0.955 20 0 BCADRM COC[C@@H](C)C(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828895789 587469729 /nfs/dbraw/zinc/46/97/29/587469729.db2.gz BBNRQNZTWNBBTD-RKDXNWHRSA-N -1 0 244.291 0.480 20 0 BCADRM COC[C@@H](C)CC(=O)O[C@H]1CCN(C(=O)[O-])C1 ZINC000828898032 587469940 /nfs/dbraw/zinc/46/99/40/587469940.db2.gz XFLLMRJPNWFQJI-IUCAKERBSA-N -1 0 245.275 0.955 20 0 BCADRM COC[C@@H](C)CNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000828898418 587470135 /nfs/dbraw/zinc/47/01/35/587470135.db2.gz YYUNUGOICPMNPE-IUCAKERBSA-N -1 0 246.307 0.631 20 0 BCADRM COC[C@H](C)OC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828902763 587470243 /nfs/dbraw/zinc/47/02/43/587470243.db2.gz 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OSUQMMJQUCEBAT-UHFFFAOYSA-N -1 0 246.307 0.966 20 0 BCADRM COCCCC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000828946242 587474621 /nfs/dbraw/zinc/47/46/21/587474621.db2.gz ZAYBIBZBQAGSNA-VIFPVBQESA-N -1 0 244.291 0.672 20 0 BCADRM COCCCNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000828950567 587475087 /nfs/dbraw/zinc/47/50/87/587475087.db2.gz MKTDROGELSMPIT-MRVPVSSYSA-N -1 0 246.307 0.821 20 0 BCADRM COCCN(C)C(=O)C(C)(C)CNC(=O)[O-] ZINC000828964438 587476062 /nfs/dbraw/zinc/47/60/62/587476062.db2.gz VDFHRCMNPYADDT-UHFFFAOYSA-N -1 0 232.280 0.385 20 0 BCADRM COCCN(C)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828964038 587476070 /nfs/dbraw/zinc/47/60/70/587476070.db2.gz JMCFVAQNSXDFHY-SNVBAGLBSA-N -1 0 248.254 0.183 20 0 BCADRM COCCN(CC(=O)N1CCC[C@H]1C)C(=O)[O-] ZINC000828971045 587476902 /nfs/dbraw/zinc/47/69/02/587476902.db2.gz MKXVLHOQOBUWNB-SECBINFHSA-N -1 0 244.291 0.624 20 0 BCADRM COCCN(CC(=O)NCCC1CC1)C(=O)[O-] ZINC000828976918 587477157 /nfs/dbraw/zinc/47/71/57/587477157.db2.gz YDUMBLGRPSXGRH-UHFFFAOYSA-N -1 0 244.291 0.529 20 0 BCADRM COCCN(CCNC(=O)[O-])CC(F)F ZINC000828979965 587477296 /nfs/dbraw/zinc/47/72/96/587477296.db2.gz PPCMRYVHLLDBJM-UHFFFAOYSA-N -1 0 226.223 0.468 20 0 BCADRM COCCN(Cc1nc(N(C)C)no1)C(=O)[O-] ZINC000828985905 587477749 /nfs/dbraw/zinc/47/77/49/587477749.db2.gz TUROXHIMGOYSKG-UHFFFAOYSA-N -1 0 244.251 0.262 20 0 BCADRM CC[C@H](O)CCCNC(=O)[C@@H](C)CC(=O)[O-] ZINC000828998654 587478374 /nfs/dbraw/zinc/47/83/74/587478374.db2.gz DJWUPCBWLOYEFN-IUCAKERBSA-N -1 0 231.292 0.765 20 0 BCADRM COCCOCCN1CCN(C(=O)[O-])C[C@H]1C ZINC000829002287 587478885 /nfs/dbraw/zinc/47/88/85/587478885.db2.gz QUIMUZIBBPCHSZ-SNVBAGLBSA-N -1 0 246.307 0.334 20 0 BCADRM COCCOC[C@H]1CCN(C(=O)[O-])C1 ZINC000829001814 587479082 /nfs/dbraw/zinc/47/90/82/587479082.db2.gz FNMLOPTYIHIMCA-QMMMGPOBSA-N -1 0 203.238 0.649 20 0 BCADRM CCC1(C(=O)N2CCC[C@H]2C(=O)[O-])COC1 ZINC000829033736 587480124 /nfs/dbraw/zinc/48/01/24/587480124.db2.gz VIKPAUHKWQGJTD-QMMMGPOBSA-N -1 0 227.260 0.489 20 0 BCADRM COCCc1nsc(NCCNC(=O)[O-])n1 ZINC000829031067 587480288 /nfs/dbraw/zinc/48/02/88/587480288.db2.gz VVTRGKDZIWHEEP-UHFFFAOYSA-N -1 0 246.292 0.407 20 0 BCADRM CCC1(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)COC1 ZINC000829033748 587480416 /nfs/dbraw/zinc/48/04/16/587480416.db2.gz WANOTSVDZVCOFP-DTWKUNHWSA-N -1 0 241.287 0.592 20 0 BCADRM COCc1nc(C[C@@H](C)N(C)C(=O)[O-])no1 ZINC000829049376 587480637 /nfs/dbraw/zinc/48/06/37/587480637.db2.gz DYVGFTPJYYRMOA-ZCFIWIBFSA-N -1 0 229.236 0.757 20 0 BCADRM CCC1(C(=O)OC/C=C(/C)C(=O)[O-])COC1 ZINC000829039530 587480830 /nfs/dbraw/zinc/48/08/30/587480830.db2.gz XHTPCXJNYWDYTE-YWEYNIOJSA-N -1 0 228.244 0.987 20 0 BCADRM CON=C(N)[C@H](CC(C)C)NC(=O)[O-] ZINC000829062039 587481086 /nfs/dbraw/zinc/48/10/86/587481086.db2.gz WNNYEODPLRAHGH-LURJTMIESA-N -1 0 203.242 0.797 20 0 BCADRM CONC(=O)N[C@@H](CNC(=O)[O-])CC(C)C ZINC000829060904 587481276 /nfs/dbraw/zinc/48/12/76/587481276.db2.gz HENAHLWDECOTCL-SSDOTTSWSA-N -1 0 233.268 0.529 20 0 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CCC[C@H](NC(=O)[C@@H]1C[C@]12CCOC2)C(=O)[O-] ZINC000908216405 638617692 /nfs/dbraw/zinc/61/76/92/638617692.db2.gz RWEWEUMLTMEMLS-AUTRQRHGSA-N -1 0 241.287 0.783 20 0 BCADRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)CO ZINC000908229105 638618691 /nfs/dbraw/zinc/61/86/91/638618691.db2.gz LVHWQOAIBSQUCA-SNVBAGLBSA-N -1 0 237.255 0.181 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)NC/C=C/Cl ZINC000908352192 638664277 /nfs/dbraw/zinc/66/42/77/638664277.db2.gz NNBVVYSGIYRUFW-FCJGRKLLSA-N -1 0 205.641 0.966 20 0 BCADRM C=CC(=O)N(CC)CC(=O)[N-]OC/C=C/Cl ZINC000908311252 638634961 /nfs/dbraw/zinc/63/49/61/638634961.db2.gz ICGPCHAEOGMQPZ-AATRIKPKSA-N -1 0 246.694 0.821 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC000908291114 638645058 /nfs/dbraw/zinc/64/50/58/638645058.db2.gz HGSYFKMTUVPIEI-IVZWLZJFSA-N -1 0 241.287 0.638 20 0 BCADRM CC(C)(C(=O)[O-])C(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000908291756 638645669 /nfs/dbraw/zinc/64/56/69/638645669.db2.gz MARGNCNBTPYXNN-BDAKNGLRSA-N -1 0 241.287 0.638 20 0 BCADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC/C=C\Cl ZINC000908352969 638663429 /nfs/dbraw/zinc/66/34/29/638663429.db2.gz YQGXWFBTJFGNIO-HYBPTEBLSA-N -1 0 217.652 0.966 20 0 BCADRM O=C([O-])C1(C(=O)NC/C=C/Cl)CCOCC1 ZINC000908352057 638664385 /nfs/dbraw/zinc/66/43/85/638664385.db2.gz KUDUINYVLFYUOU-DAFODLJHSA-N -1 0 247.678 0.737 20 0 BCADRM C/C=C\[C@H](O)C(=O)[N-]OCCOC(C)C ZINC000908328719 638665428 /nfs/dbraw/zinc/66/54/28/638665428.db2.gz NTTWQZNCCVFMTN-WBSSQXGSSA-N -1 0 217.265 0.396 20 0 BCADRM COC(=O)CC(=O)[N-]OCCOC(C)C ZINC000908329320 638667191 /nfs/dbraw/zinc/66/71/91/638667191.db2.gz QSJQZNMXWRFMRZ-UHFFFAOYSA-N -1 0 219.237 0.022 20 0 BCADRM CC(C)(O)CC(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908378991 638676017 /nfs/dbraw/zinc/67/60/17/638676017.db2.gz KWDMJYKBCAXOJK-DTWKUNHWSA-N -1 0 243.303 0.907 20 0 BCADRM C[C@@H](CC(=O)[O-])NC(=O)C1(O)CCCC1 ZINC000908485105 638751003 /nfs/dbraw/zinc/75/10/03/638751003.db2.gz QEHRICCXXZCQSE-ZETCQYMHSA-N -1 0 215.249 0.271 20 0 BCADRM C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000908489422 638751909 /nfs/dbraw/zinc/75/19/09/638751909.db2.gz MVLZWGXXRMXLRC-DKCNOQQISA-N -1 0 227.260 0.392 20 0 BCADRM C[C@H](CC(=O)N[C@@H](C)CC(=O)[O-])n1cccn1 ZINC000908488057 638751963 /nfs/dbraw/zinc/75/19/63/638751963.db2.gz FBDAIMWJEALNHS-DTWKUNHWSA-N -1 0 239.275 0.814 20 0 BCADRM COCC(C)(C)C(=O)N[C@@H](C)CC(=O)[O-] ZINC000908487438 638752454 /nfs/dbraw/zinc/75/24/54/638752454.db2.gz GYLUCABEIQHOLN-ZETCQYMHSA-N -1 0 217.265 0.638 20 0 BCADRM C[C@@H](CC(=O)[O-])NC(=O)Cc1cncc(O)c1 ZINC000908488355 638752596 /nfs/dbraw/zinc/75/25/96/638752596.db2.gz VRSYIOHMXWXYQS-ZETCQYMHSA-N -1 0 238.243 0.309 20 0 BCADRM CCC/C=C/[C@@H](O)C(=O)[N-]OC(C)(C)CO ZINC000908568447 639019729 /nfs/dbraw/zinc/01/97/29/639019729.db2.gz CILCSAUWQBLGNC-XCODYQFDSA-N -1 0 231.292 0.522 20 0 BCADRM CCOCCCNC(=O)N[C@H](CF)C(=O)[O-] ZINC000908571560 639021190 /nfs/dbraw/zinc/02/11/90/639021190.db2.gz XVWHWNORSXUNED-SSDOTTSWSA-N -1 0 236.243 0.135 20 0 BCADRM CC(C)O[N-]C(=O)CNc1ccccn1 ZINC000908570248 639021559 /nfs/dbraw/zinc/02/15/59/639021559.db2.gz OIKJSEDVCHDBPI-UHFFFAOYSA-N -1 0 209.249 0.950 20 0 BCADRM O=C([O-])[C@@H](CF)NC(=O)NCc1ccoc1 ZINC000908579201 639022711 /nfs/dbraw/zinc/02/27/11/639022711.db2.gz CLEHAOBIBXAQOD-SSDOTTSWSA-N -1 0 230.195 0.502 20 0 BCADRM CC[C@H](O)[C@@H](C)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000908599526 639022933 /nfs/dbraw/zinc/02/29/33/639022933.db2.gz RREUTUQMOLFGHR-UTLUCORTSA-N -1 0 243.303 0.717 20 0 BCADRM COCC(C)(C)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000908599484 639023041 /nfs/dbraw/zinc/02/30/41/639023041.db2.gz QZZYQKZHKWMCHC-SECBINFHSA-N -1 0 243.303 0.982 20 0 BCADRM C[C@@](O)(C(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000908593090 639023117 /nfs/dbraw/zinc/02/31/17/639023117.db2.gz TZVBABHHUROKKL-PELKAZGASA-N -1 0 241.287 0.471 20 0 BCADRM CO[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)C(C)C ZINC000908600096 639023129 /nfs/dbraw/zinc/02/31/29/639023129.db2.gz XGQDAZBNDIYVFD-ZJUUUORDSA-N -1 0 243.303 0.981 20 0 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C[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000909095055 639142072 /nfs/dbraw/zinc/14/20/72/639142072.db2.gz KCHDRTXEHRDNPM-DJLDLDEBSA-N -1 0 241.287 0.971 20 0 BCADRM CC[C@H](O)[C@H](C)C(=O)N[C@H](C)CC(=O)[O-] ZINC000909095848 639142076 /nfs/dbraw/zinc/14/20/76/639142076.db2.gz PHCJXSMKFLLZAC-CSMHCCOUSA-N -1 0 217.265 0.373 20 0 BCADRM C[C@H](CC(=O)[O-])NC(=O)Cc1cncc(O)c1 ZINC000909096425 639142273 /nfs/dbraw/zinc/14/22/73/639142273.db2.gz VRSYIOHMXWXYQS-SSDOTTSWSA-N -1 0 238.243 0.309 20 0 BCADRM Cc1nn(C)cc1CC(=O)N[C@H](C)CC(=O)[O-] ZINC000909095878 639142280 /nfs/dbraw/zinc/14/22/80/639142280.db2.gz PZHUNQOIBZQDCM-SSDOTTSWSA-N -1 0 239.275 0.250 20 0 BCADRM CC[C@@H](NC(=O)c1nccn1CC)C(=O)[O-] ZINC000909119345 639149295 /nfs/dbraw/zinc/14/92/95/639149295.db2.gz GWFUXXFISZHBGN-SSDOTTSWSA-N -1 0 225.248 0.496 20 0 BCADRM CC[C@@H](NC(=O)c1cccc2ncnn21)C(=O)[O-] ZINC000909120539 639149411 /nfs/dbraw/zinc/14/94/11/639149411.db2.gz XIDOPMPCGGEVRH-SSDOTTSWSA-N -1 0 248.242 0.322 20 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0.907 20 0 BCADRM CC[C@@H](NC(=O)CCc1cnccn1)C(=O)[O-] ZINC000909121985 639151190 /nfs/dbraw/zinc/15/11/90/639151190.db2.gz STDDMRKIMHOJEY-SECBINFHSA-N -1 0 237.259 0.389 20 0 BCADRM CC[C@H](NC(=O)Cn1cc(Cl)cn1)C(=O)[O-] ZINC000909122510 639151298 /nfs/dbraw/zinc/15/12/98/639151298.db2.gz YPXYFOASCROFTO-ZETCQYMHSA-N -1 0 245.666 0.516 20 0 BCADRM COCC(C)(C)CC(=O)N[C@@H](C)C(=O)[O-] ZINC000909130593 639153449 /nfs/dbraw/zinc/15/34/49/639153449.db2.gz CAOYMBXABYBDDI-ZETCQYMHSA-N -1 0 217.265 0.638 20 0 BCADRM Cc1nsc(C)c1C(=O)N[C@@H](C)C(=O)[O-] ZINC000909130741 639153497 /nfs/dbraw/zinc/15/34/97/639153497.db2.gz MPPFHBAEYQVDSF-YFKPBYRVSA-N -1 0 228.273 0.963 20 0 BCADRM Cc1cc(C(=O)N[C@@H](C)C(=O)[O-])ns1 ZINC000909130448 639153511 /nfs/dbraw/zinc/15/35/11/639153511.db2.gz JODKZLLWPBSICL-YFKPBYRVSA-N -1 0 214.246 0.654 20 0 BCADRM CO[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000909130426 639153567 /nfs/dbraw/zinc/15/35/67/639153567.db2.gz JEWKIRMIFTZWGV-HTQZYQBOSA-N -1 0 217.265 0.637 20 0 BCADRM C[C@@H](NC(=O)c1cc2n(n1)CCCC2)C(=O)[O-] ZINC000909131243 639153602 /nfs/dbraw/zinc/15/36/02/639153602.db2.gz QKWVUSHNLVRSTL-SSDOTTSWSA-N -1 0 237.259 0.422 20 0 BCADRM C[C@H](NC(=O)[C@H]1CCOC2(CCC2)C1)C(=O)[O-] ZINC000909130604 639153699 /nfs/dbraw/zinc/15/36/99/639153699.db2.gz CNTAGMBJFYWKGG-IUCAKERBSA-N -1 0 241.287 0.925 20 0 BCADRM C[C@@H](NC(=O)Cn1cc(Cl)cn1)C(=O)[O-] ZINC000909130258 639153799 /nfs/dbraw/zinc/15/37/99/639153799.db2.gz HFUHTOFIGMFWPC-RXMQYKEDSA-N -1 0 231.639 0.126 20 0 BCADRM C[C@H](NC(=O)C(C)(C)c1ccccn1)C(=O)[O-] ZINC000909131711 639154267 /nfs/dbraw/zinc/15/42/67/639154267.db2.gz KXPBWNAQIOEQNV-QMMMGPOBSA-N -1 0 236.271 0.949 20 0 BCADRM C[C@@H](NC(=O)[C@@H](C)c1ccncc1)C(=O)[O-] ZINC000909131993 639154288 /nfs/dbraw/zinc/15/42/88/639154288.db2.gz MYKWNMUWIMNQJP-JGVFFNPUSA-N -1 0 222.244 0.774 20 0 BCADRM C[C@H](NC(=O)c1onc2c1CCCC2)C(=O)[O-] ZINC000909131263 639154402 /nfs/dbraw/zinc/15/44/02/639154402.db2.gz RKEVWMOUPGUDHX-LURJTMIESA-N -1 0 238.243 0.756 20 0 BCADRM CSC1(C(=O)N[C@@H](C)C(=O)[O-])CCC1 ZINC000909131765 639154672 /nfs/dbraw/zinc/15/46/72/639154672.db2.gz WJZNPCFMGNLLTN-LURJTMIESA-N -1 0 217.290 0.861 20 0 BCADRM CNc1nc(C)ccc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000909131416 639154864 /nfs/dbraw/zinc/15/48/64/639154864.db2.gz ZLFCMNBQWZSGJT-ZETCQYMHSA-N -1 0 237.259 0.635 20 0 BCADRM Cc1c(C(=O)N[C@@H](C)C(=O)[O-])nnn1C(C)C ZINC000909131784 639154973 /nfs/dbraw/zinc/15/49/73/639154973.db2.gz WSJUKWDNFDWLJZ-LURJTMIESA-N -1 0 240.263 0.370 20 0 BCADRM C[C@@H](NC(=O)[C@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000909132029 639155023 /nfs/dbraw/zinc/15/50/23/639155023.db2.gz NUFDJVCSVBODBP-RNFRBKRXSA-N -1 0 215.249 0.533 20 0 BCADRM C[C@H](CN(C)C(=O)[C@@](C)(O)C1CC1)C(=O)[O-] ZINC000909150248 639157505 /nfs/dbraw/zinc/15/75/05/639157505.db2.gz QAYSBRVYXKXZMO-HQJQHLMTSA-N -1 0 229.276 0.327 20 0 BCADRM C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)C(=O)[O-] ZINC000909151306 639158478 /nfs/dbraw/zinc/15/84/78/639158478.db2.gz ZSMPDWZMWNYZQS-NXEZZACHSA-N -1 0 243.303 0.982 20 0 BCADRM Cc1ncc(CC(=O)N(C)C[C@@H](C)C(=O)[O-])o1 ZINC000909145049 639161416 /nfs/dbraw/zinc/16/14/16/639161416.db2.gz CJUPEQNMCZLJLB-SSDOTTSWSA-N -1 0 240.259 0.705 20 0 BCADRM CO[C@H](CNC(=O)N(C)CC(=O)[O-])CC(C)C ZINC000909147244 639162312 /nfs/dbraw/zinc/16/23/12/639162312.db2.gz UQHLXMYQOQRISM-VIFPVBQESA-N -1 0 246.307 0.774 20 0 BCADRM Cc1ccnc(C(=O)N(C)C[C@@H](C)C(=O)[O-])n1 ZINC000909148106 639162523 /nfs/dbraw/zinc/16/25/23/639162523.db2.gz KGNRTNLXDLBOSN-SSDOTTSWSA-N -1 0 237.259 0.578 20 0 BCADRM CN(CCC(=O)[O-])C(=O)COC(F)(F)F ZINC000909175130 639163725 /nfs/dbraw/zinc/16/37/25/639163725.db2.gz PYBATHOXPYXHBX-UHFFFAOYSA-N -1 0 229.154 0.456 20 0 BCADRM COC[C@H](C)[C@H](C)C(=O)N(C)CCC(=O)[O-] ZINC000909175525 639163834 /nfs/dbraw/zinc/16/38/34/639163834.db2.gz SYWUDCYWXRWODN-IUCAKERBSA-N -1 0 231.292 0.838 20 0 BCADRM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N(C)CCC(=O)[O-] ZINC000909175101 639163970 /nfs/dbraw/zinc/16/39/70/639163970.db2.gz PQQKKWRFAXVLOG-UJNFCWOMSA-N -1 0 229.276 0.591 20 0 BCADRM COc1cc(C(=O)N(C)CCC(=O)[O-])ncn1 ZINC000909174693 639164032 /nfs/dbraw/zinc/16/40/32/639164032.db2.gz LLWHYCFGWUJGBF-UHFFFAOYSA-N -1 0 239.231 0.032 20 0 BCADRM CC[C@@H](O)[C@@H](C)C(=O)NCCCCC(=O)[O-] ZINC000909181892 639164990 /nfs/dbraw/zinc/16/49/90/639164990.db2.gz NMWVMOQQQAFLLJ-RKDXNWHRSA-N -1 0 231.292 0.765 20 0 BCADRM CC[C@@H](CO)C(=O)NCCCCC(=O)[O-] ZINC000909185062 639165118 /nfs/dbraw/zinc/16/51/18/639165118.db2.gz HWUJKQRNKVQWJZ-QMMMGPOBSA-N -1 0 217.265 0.376 20 0 BCADRM Cc1nc(C(=O)NCCCCC(=O)[O-])co1 ZINC000909187744 639166618 /nfs/dbraw/zinc/16/66/18/639166618.db2.gz OCJDRUNNBOGTBO-UHFFFAOYSA-N -1 0 226.232 0.968 20 0 BCADRM O=C([O-])CCCCNC(=O)/C=C\[C@@H]1CCOC1 ZINC000909185941 639166727 /nfs/dbraw/zinc/16/67/27/639166727.db2.gz HSQYQRICFGWMJM-UMCURTJPSA-N -1 0 241.287 0.950 20 0 BCADRM Cc1nn(C)cc1CC(=O)N(C)CCC(=O)[O-] ZINC000909167728 639167954 /nfs/dbraw/zinc/16/79/54/639167954.db2.gz ONTQUQCLVHPNEN-UHFFFAOYSA-N -1 0 239.275 0.204 20 0 BCADRM C/C=C(/CC)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000909217712 639169137 /nfs/dbraw/zinc/16/91/37/639169137.db2.gz QEOWZWWPVZHVJW-PTDYZRSTSA-N -1 0 227.260 0.655 20 0 BCADRM Cc1ccnc(C(=O)NC[C@H](C)C(=O)[O-])n1 ZINC000909201806 639171107 /nfs/dbraw/zinc/17/11/07/639171107.db2.gz ITULZGJVBPRYRC-LURJTMIESA-N -1 0 223.232 0.236 20 0 BCADRM C[C@@H](CNC(=O)c1cc2n(n1)CCC2)C(=O)[O-] ZINC000909207477 639172032 /nfs/dbraw/zinc/17/20/32/639172032.db2.gz AHZHEEYUXGVHJB-ZETCQYMHSA-N -1 0 237.259 0.280 20 0 BCADRM CCC[C@H](OC)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000909207533 639172449 /nfs/dbraw/zinc/17/24/49/639172449.db2.gz BPZNMQMCJBTESG-SFYZADRCSA-N -1 0 217.265 0.638 20 0 BCADRM Cc1nc(C)c(C(=O)NC[C@H](C)C(=O)[O-])[nH]1 ZINC000909202103 639172505 /nfs/dbraw/zinc/17/25/05/639172505.db2.gz LUWZQZYIHLHJMR-YFKPBYRVSA-N -1 0 225.248 0.477 20 0 BCADRM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000909204405 639172507 /nfs/dbraw/zinc/17/25/07/639172507.db2.gz VNMNNCLFTJUXAJ-LURQLKTLSA-N -1 0 229.276 0.494 20 0 BCADRM C[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1O)C(=O)[O-] ZINC000909209641 639173595 /nfs/dbraw/zinc/17/35/95/639173595.db2.gz LGAMYQNVXPKZTG-BBBLOLIVSA-N -1 0 243.303 0.765 20 0 BCADRM C[C@H](CNC(=O)C1(O)CCSCC1)C(=O)[O-] ZINC000909210700 639173745 /nfs/dbraw/zinc/17/37/45/639173745.db2.gz OXGDDXYYMJAGDG-SSDOTTSWSA-N -1 0 247.316 0.081 20 0 BCADRM C[C@H](CNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1)C(=O)[O-] ZINC000909210652 639173992 /nfs/dbraw/zinc/17/39/92/639173992.db2.gz OHDDGQOXKHFKPO-DJLDLDEBSA-N -1 0 241.287 0.829 20 0 BCADRM CC1(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC=CC1 ZINC000909213665 639175326 /nfs/dbraw/zinc/17/53/26/639175326.db2.gz FWHCQOUOANQYNP-SECBINFHSA-N -1 0 239.271 0.655 20 0 BCADRM CC/C(C)=C\C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000909218592 639178032 /nfs/dbraw/zinc/17/80/32/639178032.db2.gz YGWLZQOXLQAZHT-JGAIRUGNSA-N -1 0 227.260 0.655 20 0 BCADRM CC[C@@H](O)[C@@H](C)C(=O)NCCSCC(=O)[O-] ZINC000909231529 639179706 /nfs/dbraw/zinc/17/97/06/639179706.db2.gz PJNDQZQVKDMBJY-HTQZYQBOSA-N -1 0 249.332 0.327 20 0 BCADRM CCCN(C(=O)NOCCOC)[C@H](C)C(=O)[O-] ZINC000909250205 639184100 /nfs/dbraw/zinc/18/41/00/639184100.db2.gz BEMXTHMSEQNREG-MRVPVSSYSA-N -1 0 248.279 0.459 20 0 BCADRM C[C@@H](NC(=O)/C=C\[C@@H]1CCOC1)C(=O)[O-] ZINC000909260163 639186885 /nfs/dbraw/zinc/18/68/85/639186885.db2.gz JQHXLUAHKGYOFY-OUZXLXBKSA-N -1 0 213.233 0.168 20 0 BCADRM CC(C)(CNC(=O)[C@@H](O)C1CCC1)C(=O)[O-] ZINC000909277208 639194604 /nfs/dbraw/zinc/19/46/04/639194604.db2.gz FZPFMDSHWMDUFR-QMMMGPOBSA-N -1 0 229.276 0.374 20 0 BCADRM CC(C)(CNC(=O)/C=C/[C@@H]1CCOC1)C(=O)[O-] ZINC000909277699 639194656 /nfs/dbraw/zinc/19/46/56/639194656.db2.gz ZATOENXEQIPCLG-CDAZIORVSA-N -1 0 241.287 0.806 20 0 BCADRM CC(C)C[C@@H](CNC(=O)C(C)(C)CO)C(=O)[O-] ZINC000909286362 639198291 /nfs/dbraw/zinc/19/82/91/639198291.db2.gz FYNDMVQEHQKOSW-VIFPVBQESA-N -1 0 245.319 0.868 20 0 BCADRM CC(C)(O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000909302828 639199529 /nfs/dbraw/zinc/19/95/29/639199529.db2.gz GLXRQIFILBPFTI-JTQLQIEISA-N -1 0 215.249 0.081 20 0 BCADRM CSC1(C(=O)N2CC[C@](F)(C(=O)[O-])C2)CC1 ZINC000909304659 639199639 /nfs/dbraw/zinc/19/96/39/639199639.db2.gz NLPUYTLMHNNUIP-SECBINFHSA-N -1 0 247.291 0.907 20 0 BCADRM CC[C@H](O)[C@@H](C)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000909304600 639199804 /nfs/dbraw/zinc/19/98/04/639199804.db2.gz LKXYGYXFGFEJRA-VHSKPIJISA-N -1 0 247.266 0.419 20 0 BCADRM CC(C)(O)CC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000909305520 639200416 /nfs/dbraw/zinc/20/04/16/639200416.db2.gz CQMYIRJJNVDTMZ-SNVBAGLBSA-N -1 0 233.239 0.173 20 0 BCADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CC2(O)CCC2)C1 ZINC000909304860 639201203 /nfs/dbraw/zinc/20/12/03/639201203.db2.gz WFFMVXAQDANIEN-LLVKDONJSA-N -1 0 241.287 0.615 20 0 BCADRM CC[C@](C)(OC)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000909306376 639201540 /nfs/dbraw/zinc/20/15/40/639201540.db2.gz ZPBWZGVHDVGPIF-QWRGUYRKSA-N -1 0 247.266 0.827 20 0 BCADRM CC[C@](C)(OC)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000909306378 639201597 /nfs/dbraw/zinc/20/15/97/639201597.db2.gz ZPBWZGVHDVGPIF-WDEREUQCSA-N -1 0 247.266 0.827 20 0 BCADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cnnn1C ZINC000909311265 639204012 /nfs/dbraw/zinc/20/40/12/639204012.db2.gz GPKCKGIMBAJSNG-ZETCQYMHSA-N -1 0 240.263 0.140 20 0 BCADRM O=C([O-])C[C@@]1(NC(=O)C2=CCCC2)CCOC1 ZINC000909700096 639205190 /nfs/dbraw/zinc/20/51/90/639205190.db2.gz PZWQYOPGHADMCJ-LBPRGKRZSA-N -1 0 239.271 0.847 20 0 BCADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1cnc[nH]1 ZINC000909314339 639205292 /nfs/dbraw/zinc/20/52/92/639205292.db2.gz USRDWNBTJBRBRZ-QMMMGPOBSA-N -1 0 239.275 0.664 20 0 BCADRM CC[C@@]1(C)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCO1 ZINC000909727591 639212916 /nfs/dbraw/zinc/21/29/16/639212916.db2.gz AANXQPQANIKTBM-PTRXPTGYSA-N -1 0 241.287 0.735 20 0 BCADRM CO[C@@H](C)CNC(=O)[C@@H](C)CC(=O)[O-] ZINC000909726200 639213207 /nfs/dbraw/zinc/21/32/07/639213207.db2.gz ZTPACGGMPMKASF-BQBZGAKWSA-N -1 0 203.238 0.248 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)N1CCOC[C@@H]1C1CC1 ZINC000909727811 639213594 /nfs/dbraw/zinc/21/35/94/639213594.db2.gz GFHULSOHYLYELO-WCBMZHEXSA-N -1 0 241.287 0.735 20 0 BCADRM Cc1n[nH]nc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000909734460 639214617 /nfs/dbraw/zinc/21/46/17/639214617.db2.gz USAIRMZNVNTMHB-SSDOTTSWSA-N -1 0 238.247 0.192 20 0 BCADRM COc1cc(NC(=O)[C@@H](C)O)ccc1C(=O)[O-] ZINC000909730779 639214788 /nfs/dbraw/zinc/21/47/88/639214788.db2.gz DYBUPHRUWARJRG-ZCFIWIBFSA-N -1 0 239.227 0.713 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N1CCOC[C@H]1C1CC1 ZINC000909728131 639214800 /nfs/dbraw/zinc/21/48/00/639214800.db2.gz SUKYNXBQCNDHLY-UWVGGRQHSA-N -1 0 241.287 0.735 20 0 BCADRM CC[C@@H](CO)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000909734010 639215716 /nfs/dbraw/zinc/21/57/16/639215716.db2.gz QAKITRLXUMWWGR-DTWKUNHWSA-N -1 0 229.276 0.471 20 0 BCADRM O=C([O-])C[C@@H]1CCCN1C(=O)C1CC(=O)C1 ZINC000909740438 639218144 /nfs/dbraw/zinc/21/81/44/639218144.db2.gz ONISPZHVGXYOKK-QMMMGPOBSA-N -1 0 225.244 0.431 20 0 BCADRM Cc1nc[nH]c1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000909740916 639218335 /nfs/dbraw/zinc/21/83/35/639218335.db2.gz UJTNHIYPHFAERW-QMMMGPOBSA-N -1 0 237.259 0.797 20 0 BCADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000909743668 639218847 /nfs/dbraw/zinc/21/88/47/639218847.db2.gz YUYKNNQOJLTRIE-ZETCQYMHSA-N -1 0 223.232 0.489 20 0 BCADRM CC(C)(CCNC(=O)c1cnco1)C(=O)[O-] ZINC000909748746 639219899 /nfs/dbraw/zinc/21/98/99/639219899.db2.gz OTOXLKRBDJMVGW-UHFFFAOYSA-N -1 0 226.232 0.905 20 0 BCADRM O=C([O-])[C@H](CC(F)F)NC(=O)C1CC(=O)C1 ZINC000909772448 639219920 /nfs/dbraw/zinc/21/99/20/639219920.db2.gz ZEMBZFGYQYWKJL-LURJTMIESA-N -1 0 235.186 0.190 20 0 BCADRM CC(C)[C@H](O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000909749192 639219983 /nfs/dbraw/zinc/21/99/83/639219983.db2.gz TUTDGUSFENIGKA-QMMMGPOBSA-N -1 0 231.292 0.620 20 0 BCADRM CC(C)(CO)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000909750032 639220085 /nfs/dbraw/zinc/22/00/85/639220085.db2.gz ZXAAPHBDMHNERR-UHFFFAOYSA-N -1 0 231.292 0.622 20 0 BCADRM 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639634996 /nfs/dbraw/zinc/63/49/96/639634996.db2.gz BSAUOKLJZVFOEW-UHFFFAOYSA-N -1 0 235.243 0.281 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000911397406 639635007 /nfs/dbraw/zinc/63/50/07/639635007.db2.gz YOMQCZQOTMDYIZ-HRDYMLBCSA-N -1 0 229.276 0.327 20 0 BCADRM C[C@@H]1CN(C(=O)C23CC(C(=O)[O-])(C2)C3)C[C@@H]1O ZINC000911396547 639635367 /nfs/dbraw/zinc/63/53/67/639635367.db2.gz BLHAQEIMARAHIE-GTTGXYMLSA-N -1 0 239.271 0.081 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N1CCC(C)(O)CC1 ZINC000911396582 639635420 /nfs/dbraw/zinc/63/54/20/639635420.db2.gz CFLUHJBHGRQROF-QMMMGPOBSA-N -1 0 229.276 0.471 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000911397405 639635428 /nfs/dbraw/zinc/63/54/28/639635428.db2.gz YOMQCZQOTMDYIZ-HLTSFMKQSA-N -1 0 229.276 0.327 20 0 BCADRM CC[C@@H](NC(=O)C1(C(=O)[O-])CCC1)[C@H](C)O ZINC000911400964 639636168 /nfs/dbraw/zinc/63/61/68/639636168.db2.gz LKQKUNCTOQGLIZ-JGVFFNPUSA-N -1 0 229.276 0.517 20 0 BCADRM CC[C@@H](O)CNC(=O)c1cccc(C(=O)[O-])n1 ZINC000911400987 639636199 /nfs/dbraw/zinc/63/61/99/639636199.db2.gz MMFVUOWWNZBDRS-SSDOTTSWSA-N -1 0 238.243 0.281 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NC(C)(C)[C@H](C)O ZINC000911399723 639636456 /nfs/dbraw/zinc/63/64/56/639636456.db2.gz TXMTYYZTHLYQMR-RQJHMYQMSA-N -1 0 217.265 0.373 20 0 BCADRM CC[C@@H](NC(=O)[C@H](CC)C(=O)[O-])[C@H](C)O ZINC000911400990 639636555 /nfs/dbraw/zinc/63/65/55/639636555.db2.gz MTWWSANDZKYCTA-BIIVOSGPSA-N -1 0 217.265 0.373 20 0 BCADRM C[C@@H](O)C[C@@H](C)NC(=O)C(C)(C)C(=O)[O-] ZINC000911400846 639636996 /nfs/dbraw/zinc/63/69/96/639636996.db2.gz ICZSYHYJKWBGQA-RNFRBKRXSA-N -1 0 217.265 0.373 20 0 BCADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](CO)C(C)(C)C ZINC000911400469 639637120 /nfs/dbraw/zinc/63/71/20/639637120.db2.gz WNIXYYSNXCDQMW-DTWKUNHWSA-N -1 0 245.319 0.866 20 0 BCADRM CC[C@@H](O)CNC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000911400748 639637409 /nfs/dbraw/zinc/63/74/09/639637409.db2.gz DTHJKWLOHSOSKF-SSDOTTSWSA-N -1 0 241.243 0.787 20 0 BCADRM C[C@@H](O)C(C)(C)NC(=O)[C@H](C)CC(=O)[O-] ZINC000911399722 639637550 /nfs/dbraw/zinc/63/75/50/639637550.db2.gz TXMTYYZTHLYQMR-RNFRBKRXSA-N -1 0 217.265 0.373 20 0 BCADRM CC[C@H](NC(=O)[C@H](CC)C(=O)[O-])[C@@H](C)O ZINC000911400991 639637699 /nfs/dbraw/zinc/63/76/99/639637699.db2.gz MTWWSANDZKYCTA-CSMHCCOUSA-N -1 0 217.265 0.373 20 0 BCADRM CC(C)(CCO)CNC(=O)C(C)(C)C(=O)[O-] ZINC000911405643 639638327 /nfs/dbraw/zinc/63/83/27/639638327.db2.gz HGQYFIGGHPOXBW-UHFFFAOYSA-N -1 0 231.292 0.622 20 0 BCADRM CC(C)(C(=O)[O-])C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000911402294 639638449 /nfs/dbraw/zinc/63/84/49/639638449.db2.gz WSWDIXHDIQIRCB-DTORHVGOSA-N -1 0 243.303 0.765 20 0 BCADRM CC[C@H](NC(=O)[C@@H](C)CC(=O)[O-])[C@@H](C)O ZINC000911401900 639638691 /nfs/dbraw/zinc/63/86/91/639638691.db2.gz WGDYWGSXRDVSGM-RNJXMRFFSA-N -1 0 217.265 0.373 20 0 BCADRM CC[C@@H](NC(=O)CCSCC(=O)[O-])[C@H](C)O ZINC000911402019 639638886 /nfs/dbraw/zinc/63/88/86/639638886.db2.gz 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C=C=CCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC000911407020 639642159 /nfs/dbraw/zinc/64/21/59/639642159.db2.gz XZTYMHKIWXUJNI-IWSPIJDZSA-N -1 0 225.244 0.322 20 0 BCADRM CC(C)[C@H](CO)CNC(=O)C(C)(C)C(=O)[O-] ZINC000911405866 639642361 /nfs/dbraw/zinc/64/23/61/639642361.db2.gz KVQMBXCUDWEFBV-QMMMGPOBSA-N -1 0 231.292 0.478 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](CO)[C@@H]1C ZINC000911409743 639643510 /nfs/dbraw/zinc/64/35/10/639643510.db2.gz LVZICVNXPIRNHZ-GUBZILKMSA-N -1 0 243.303 0.717 20 0 BCADRM O=C([O-])CCCC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000911408958 639643618 /nfs/dbraw/zinc/64/36/18/639643618.db2.gz PBYNNVDQCWXYDX-MGCOHNPYSA-N -1 0 243.303 0.909 20 0 BCADRM CC[C@@H](CCO)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000911409744 639643750 /nfs/dbraw/zinc/64/37/50/639643750.db2.gz ZDKGAZHJJGOOJT-YUMQZZPRSA-N -1 0 217.265 0.374 20 0 BCADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@]1(C)CO ZINC000911407724 639644211 /nfs/dbraw/zinc/64/42/11/639644211.db2.gz PCZBNYUIIGDVHT-BXKDBHETSA-N -1 0 243.303 0.717 20 0 BCADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CC[C@@H](C)[C@H]1CO ZINC000911407781 639644286 /nfs/dbraw/zinc/64/42/86/639644286.db2.gz PWDKVVYVIVODFP-BBBLOLIVSA-N -1 0 243.303 0.573 20 0 BCADRM CCc1ncc(CNC(=O)C2(C(=O)[O-])CC2)o1 ZINC000911431477 639645924 /nfs/dbraw/zinc/64/59/24/639645924.db2.gz WDDZNEDEMNPXRN-UHFFFAOYSA-N -1 0 238.243 0.718 20 0 BCADRM CC[C@]1(O)CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1 ZINC000911446637 639646710 /nfs/dbraw/zinc/64/67/10/639646710.db2.gz SGMHEXZXIWYYCJ-PTRXPTGYSA-N -1 0 241.287 0.471 20 0 BCADRM CC[C@]1(O)CCN(C(=O)C[C@@H](C)CC(=O)[O-])C1 ZINC000911445936 639647258 /nfs/dbraw/zinc/64/72/58/639647258.db2.gz JVRCZLLOGLJMKJ-SKDRFNHKSA-N -1 0 243.303 0.861 20 0 BCADRM CC[C@]1(O)CCN(C(=O)C2(C(=O)[O-])CCC2)C1 ZINC000911446032 639647343 /nfs/dbraw/zinc/64/73/43/639647343.db2.gz MEQPBZKIPABVKP-NSHDSACASA-N -1 0 241.287 0.615 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N(CC)CCCO ZINC000911446804 639647401 /nfs/dbraw/zinc/64/74/01/639647401.db2.gz 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357290917 /nfs/dbraw/zinc/29/09/17/357290917.db2.gz ILEFMFYSVSMDNI-XPUUQOCRSA-N -1 0 214.265 0.757 20 0 BCADRM C/C=C\C[C@H](NC(=O)CCOCC)C(=O)[O-] ZINC000393763898 357297669 /nfs/dbraw/zinc/29/76/69/357297669.db2.gz OKYMGLZRXLQHAN-LVCFMKKZSA-N -1 0 229.276 0.949 20 0 BCADRM NC(=O)c1cc(NCCCC(=O)[O-])ccn1 ZINC000035672976 181290843 /nfs/dbraw/zinc/29/08/43/181290843.db2.gz YKEADMNTPUTACN-UHFFFAOYSA-N -1 0 223.232 0.457 20 0 BCADRM O=C(Cc1ccco1)NC1(c2nnn[n-]2)CC1 ZINC000357084129 538824442 /nfs/dbraw/zinc/82/44/42/538824442.db2.gz ZZFBRXGNTLFXRR-UHFFFAOYSA-N -1 0 233.231 0.141 20 0 BCADRM CCN(CC)C(=O)NCCCC(=O)[O-] ZINC000019980901 357272697 /nfs/dbraw/zinc/27/26/97/357272697.db2.gz NGYGWDQRZCIGGH-UHFFFAOYSA-N -1 0 202.254 0.903 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)CCc1ccncn1 ZINC000582487256 357318630 /nfs/dbraw/zinc/31/86/30/357318630.db2.gz MAZGJKPGMPTMDO-MRVPVSSYSA-N -1 0 237.259 0.341 20 0 BCADRM Cc1c(-c2cn(C)nc2C(=O)[O-])cnn1C ZINC000584361766 357327038 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/nfs/dbraw/zinc/50/70/71/357507071.db2.gz ZDEFAWHHKDKDBP-NSHDSACASA-N -1 0 241.287 0.784 20 0 BCADRM O=C([O-])[C@@H]1CN(c2ccnc(C3CC3)n2)CCO1 ZINC000582966633 357445729 /nfs/dbraw/zinc/44/57/29/357445729.db2.gz PRBISHCOIVOHBR-VIFPVBQESA-N -1 0 249.270 0.644 20 0 BCADRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1cncc2nncn21 ZINC000582968696 357446887 /nfs/dbraw/zinc/44/68/87/357446887.db2.gz UCPQVMDTEBISCG-YUMQZZPRSA-N -1 0 247.258 0.424 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)C(=O)NC[C@]1(C)CCOC1 ZINC000397187709 357509091 /nfs/dbraw/zinc/50/90/91/357509091.db2.gz KAXKFQGTTJAYRS-KWQFWETISA-N -1 0 244.291 0.528 20 0 BCADRM C[C@@H](C(=O)[O-])C(=O)NC[C@]1(C)CCOC1 ZINC000397188009 357509405 /nfs/dbraw/zinc/50/94/05/357509405.db2.gz NKUSGVAVYSUPNJ-XCBNKYQSSA-N -1 0 215.249 0.250 20 0 BCADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(Cc2noc(C)n2)C1 ZINC000583031108 357463567 /nfs/dbraw/zinc/46/35/67/357463567.db2.gz YDPVZULRIFXRGT-SFYZADRCSA-N -1 0 241.247 0.052 20 0 BCADRM CCCn1nccc1C(=O)NC[C@H](C)C(=O)[O-] ZINC000583036490 357466710 /nfs/dbraw/zinc/46/67/10/357466710.db2.gz VYWRVOAVOWYVJS-QMMMGPOBSA-N -1 0 239.275 0.744 20 0 BCADRM C[C@H](CN=c1nn[n-]n1C)CC(F)(F)F ZINC000397006733 357488734 /nfs/dbraw/zinc/48/87/34/357488734.db2.gz MQQMUSOFTHKGTP-YFKPBYRVSA-N -1 0 223.202 0.632 20 0 BCADRM COC[C@@H](NC(=O)C1(C(=O)[O-])CCC1)C1CC1 ZINC000397448531 357514800 /nfs/dbraw/zinc/51/48/00/357514800.db2.gz KUJIUWCIEIQEHJ-SECBINFHSA-N -1 0 241.287 0.783 20 0 BCADRM Cc1nc(S(=O)(=O)[N-]c2cncnc2)c[nH]1 ZINC000231773407 357628800 /nfs/dbraw/zinc/62/88/00/357628800.db2.gz OLSMWDUBVFOIBM-UHFFFAOYSA-N -1 0 239.260 0.309 20 0 BCADRM CCOCC(=O)NC1(CC(=O)[O-])CC1 ZINC000398327012 357883709 /nfs/dbraw/zinc/88/37/09/357883709.db2.gz ZFKQLTGERURZFD-UHFFFAOYSA-N -1 0 201.222 0.146 20 0 BCADRM CC(C)(C)CS(=O)(=O)NC1(CC(=O)[O-])CC1 ZINC000398400537 357885433 /nfs/dbraw/zinc/88/54/33/357885433.db2.gz WDPHRPWNSRPMNH-UHFFFAOYSA-N -1 0 249.332 0.959 20 0 BCADRM C[C@@H](C[S@@](C)=O)N(C)c1nc(C(=O)[O-])co1 ZINC000398901698 357890884 /nfs/dbraw/zinc/89/08/84/357890884.db2.gz DRNFFMDKHGJURM-XABCROFNSA-N -1 0 246.288 0.576 20 0 BCADRM C[C@@H](C[S@](C)=O)N(C)c1nc(C(=O)[O-])co1 ZINC000398901696 357891104 /nfs/dbraw/zinc/89/11/04/357891104.db2.gz DRNFFMDKHGJURM-MUCOVADDSA-N -1 0 246.288 0.576 20 0 BCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc[nH]n2)C1 ZINC000398995466 357893031 /nfs/dbraw/zinc/89/30/31/357893031.db2.gz JYWUMPVIWJHTBR-HTQZYQBOSA-N -1 0 237.259 0.593 20 0 BCADRM C[C@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1C(=O)[O-] ZINC000235636439 357926361 /nfs/dbraw/zinc/92/63/61/357926361.db2.gz JTMICZXQHLNFKH-WPRPVWTQSA-N -1 0 249.270 0.802 20 0 BCADRM O=C([O-])CCC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000583313993 357896699 /nfs/dbraw/zinc/89/66/99/357896699.db2.gz UEWADLVVBJNIJK-AEJSXWLSSA-N -1 0 241.287 0.925 20 0 BCADRM CCC[C@H](O)CNC(=O)CCC(=O)[O-] ZINC000217683813 357909999 /nfs/dbraw/zinc/90/99/99/357909999.db2.gz SXSHSZHKUQSLNP-ZETCQYMHSA-N -1 0 203.238 0.128 20 0 BCADRM CC[C@H](N=c1nn[n-]n1C)[C@H]1CC1(C)C ZINC000583742757 357932267 /nfs/dbraw/zinc/93/22/67/357932267.db2.gz ABGJOURQTIUFAU-SFYZADRCSA-N -1 0 209.297 0.869 20 0 BCADRM COC(=O)[C@H](C)CNC(=O)[C@H](C(=O)[O-])C(C)C ZINC000583755895 357935957 /nfs/dbraw/zinc/93/59/57/357935957.db2.gz HVKKWUSRECKUQO-HTQZYQBOSA-N -1 0 245.275 0.269 20 0 BCADRM CC[C@@H](Nc1ncnc2c1cnn2C)C(=O)[O-] ZINC000035411077 357979885 /nfs/dbraw/zinc/97/98/85/357979885.db2.gz SIESISFZKNPAJH-SSDOTTSWSA-N -1 0 235.247 0.638 20 0 BCADRM C[C@@H](O)CCN(C)C(=O)C1(C(=O)[O-])CC1 ZINC000219835181 358013945 /nfs/dbraw/zinc/01/39/45/358013945.db2.gz YHDFRDZEHXFBNG-SSDOTTSWSA-N -1 0 215.249 0.081 20 0 BCADRM Cc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])s1 ZINC000085231409 134247033 /nfs/dbraw/zinc/24/70/33/134247033.db2.gz GZYWTJKZIWUKNO-JTQLQIEISA-N -1 0 243.284 0.622 20 0 BCADRM C[C@@](O)(CNC(=O)Cc1ccsc1)C(=O)[O-] ZINC000085231585 134247227 /nfs/dbraw/zinc/24/72/27/134247227.db2.gz UYJBCKTYPGGSFO-SNVBAGLBSA-N -1 0 243.284 0.242 20 0 BCADRM C[C@](O)(CNC(=O)c1ccccc1)C(=O)[O-] ZINC000085231510 134247282 /nfs/dbraw/zinc/24/72/82/134247282.db2.gz FKPLDBPIFAFVJD-NSHDSACASA-N -1 0 223.228 0.252 20 0 BCADRM Cc1ccsc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000085231522 134247467 /nfs/dbraw/zinc/24/74/67/134247467.db2.gz MZUYGSBFORLESH-SNVBAGLBSA-N -1 0 243.284 0.622 20 0 BCADRM CC(C)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000220581527 358044239 /nfs/dbraw/zinc/04/42/39/358044239.db2.gz KBMFJAUZEAMGMR-UHFFFAOYSA-N -1 0 244.272 0.467 20 0 BCADRM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)on1 ZINC000036946980 358056424 /nfs/dbraw/zinc/05/64/24/358056424.db2.gz JGFIDLCNOCXELE-NSHDSACASA-N -1 0 238.243 0.966 20 0 BCADRM Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)on1 ZINC000036946981 358056427 /nfs/dbraw/zinc/05/64/27/358056427.db2.gz JGFIDLCNOCXELE-LLVKDONJSA-N -1 0 238.243 0.966 20 0 BCADRM C[C@](NC(=O)C1CCOCC1)(C(=O)[O-])C1CC1 ZINC000036946962 358056524 /nfs/dbraw/zinc/05/65/24/358056524.db2.gz YMDDAHXLCSVNRC-GFCCVEGCSA-N -1 0 241.287 0.783 20 0 BCADRM CCCS(=O)(=O)N(CCC(=O)[O-])C(C)C ZINC000037474003 358070386 /nfs/dbraw/zinc/07/03/86/358070386.db2.gz CBZSUXBQUDRGBT-UHFFFAOYSA-N -1 0 237.321 0.911 20 0 BCADRM C[C@@H](NC(=O)CCc1cccnc1)C(=O)[O-] ZINC000037434783 358070559 /nfs/dbraw/zinc/07/05/59/358070559.db2.gz JODJPEVCSIUMEK-MRVPVSSYSA-N -1 0 222.244 0.604 20 0 BCADRM CCN(CC)C(=O)CN(C)C(=O)CCC(=O)[O-] ZINC000037494155 358073245 /nfs/dbraw/zinc/07/32/45/358073245.db2.gz QJHDHEIYIRHRIO-UHFFFAOYSA-N -1 0 244.291 0.178 20 0 BCADRM CN(CC(=O)[O-])C(=O)CCc1cccnc1 ZINC000036975126 358057106 /nfs/dbraw/zinc/05/71/06/358057106.db2.gz CRPPFWQSVVXUJA-UHFFFAOYSA-N -1 0 222.244 0.557 20 0 BCADRM C[C@@](NC(=O)[C@@H]1CCCO1)(C(=O)[O-])C1CC1 ZINC000036947107 358057124 /nfs/dbraw/zinc/05/71/24/358057124.db2.gz GURKDAAFBWHCEP-KWQFWETISA-N -1 0 227.260 0.535 20 0 BCADRM CC(C)C[C@@H](C(=O)[O-])N1CCS(=O)(=O)CC1 ZINC000036948279 358057215 /nfs/dbraw/zinc/05/72/15/358057215.db2.gz FXVXGGJYWMEMGC-VIFPVBQESA-N -1 0 249.332 0.216 20 0 BCADRM O=C([O-])CCCS(=O)(=O)NCC1CCC1 ZINC000037180476 358059318 /nfs/dbraw/zinc/05/93/18/358059318.db2.gz CXMQLBHAZNSQEB-UHFFFAOYSA-N -1 0 235.305 0.571 20 0 BCADRM CCCN(CC)S(=O)(=O)CCCC(=O)[O-] ZINC000037094583 358065401 /nfs/dbraw/zinc/06/54/01/358065401.db2.gz CZKCKVSQJNUNPZ-UHFFFAOYSA-N -1 0 237.321 0.913 20 0 BCADRM CC(C)OCCCNC(=O)CSCC(=O)[O-] ZINC000037388999 358078696 /nfs/dbraw/zinc/07/86/96/358078696.db2.gz LKYMSQAMISLSJI-UHFFFAOYSA-N -1 0 249.332 0.736 20 0 BCADRM CN(C)c1ccc(NC(=O)C2(C(=O)[O-])CC2)nc1 ZINC000583874612 358081689 /nfs/dbraw/zinc/08/16/89/358081689.db2.gz ABHOJJDUIUAPDA-UHFFFAOYSA-N -1 0 249.270 0.951 20 0 BCADRM O=C([O-])C1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC000037561475 358082505 /nfs/dbraw/zinc/08/25/05/358082505.db2.gz RWSDRWXKZKVXTM-UHFFFAOYSA-N -1 0 237.259 0.783 20 0 BCADRM NC(=O)c1ccc(C(=O)NCCC(=O)[O-])s1 ZINC000309718886 181295165 /nfs/dbraw/zinc/29/51/65/181295165.db2.gz ZVVQWVWFFNAZNE-UHFFFAOYSA-N -1 0 242.256 0.052 20 0 BCADRM CCn1nc(C)cc1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000090123017 491123168 /nfs/dbraw/zinc/12/31/68/491123168.db2.gz JBHXYSZLDRGCAW-SSDOTTSWSA-N -1 0 239.275 0.662 20 0 BCADRM CC1(F)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000640071427 358162188 /nfs/dbraw/zinc/16/21/88/358162188.db2.gz MNGLCVMSYMJCPS-UHFFFAOYSA-N -1 0 214.244 0.834 20 0 BCADRM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cccnc2)O1 ZINC000222429454 358174288 /nfs/dbraw/zinc/17/42/88/358174288.db2.gz LCIMDPZVMAQJKW-DTWKUNHWSA-N -1 0 236.227 0.652 20 0 BCADRM CC1(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])CC1 ZINC000584838657 358198222 /nfs/dbraw/zinc/19/82/22/358198222.db2.gz ZWYFTUVZYNBJFA-MRVPVSSYSA-N -1 0 247.316 0.712 20 0 BCADRM O=C([O-])[C@H](C(=O)NC[C@H]1CCCOC1)C1CC1 ZINC000663039949 491125132 /nfs/dbraw/zinc/12/51/32/491125132.db2.gz ACKBNOZNMAWJIM-SCZZXKLOSA-N -1 0 241.287 0.640 20 0 BCADRM C[C@@H](NC(=O)NCC[C@@H]1CCCCO1)C(=O)[O-] ZINC000223674631 358229623 /nfs/dbraw/zinc/22/96/23/358229623.db2.gz WKOVXMCEHRTNBC-BDAKNGLRSA-N -1 0 244.291 0.718 20 0 BCADRM CCC[C@H](NC(=O)NC[C@H]1CCCO1)C(=O)[O-] ZINC000040422631 358235827 /nfs/dbraw/zinc/23/58/27/358235827.db2.gz VYPPZIDRTHAGEJ-BDAKNGLRSA-N -1 0 244.291 0.718 20 0 BCADRM O=C([O-])CCNC(=O)c1ccc2c(c1)CCN2 ZINC000040469466 358237124 /nfs/dbraw/zinc/23/71/24/358237124.db2.gz UPICSGZIYOEJLM-UHFFFAOYSA-N -1 0 234.255 0.859 20 0 BCADRM CC[C@@H](NC(=O)NCC(F)(F)F)C(=O)[O-] ZINC000040546759 358238623 /nfs/dbraw/zinc/23/86/23/358238623.db2.gz WOXMLWMAAFTBOP-SCSAIBSYSA-N -1 0 228.170 0.711 20 0 BCADRM C[C@@H](O)[C@H](NC(=O)N(C)C1CCCC1)C(=O)[O-] ZINC000040561843 358239181 /nfs/dbraw/zinc/23/91/81/358239181.db2.gz DCSLCCOESRDOJB-APPZFPTMSA-N -1 0 244.291 0.404 20 0 BCADRM CCCC[C@@H](C(=O)[O-])N1CCOCC1 ZINC000041053484 358241410 /nfs/dbraw/zinc/24/14/10/358241410.db2.gz QGRGDLXGQWGYEC-VIFPVBQESA-N -1 0 201.266 0.962 20 0 BCADRM O=C([O-])CCCNC(=O)N1CCC[C@@H](CO)C1 ZINC000040582465 358242099 /nfs/dbraw/zinc/24/20/99/358242099.db2.gz NURFBNFUWQSFCX-SECBINFHSA-N -1 0 244.291 0.265 20 0 BCADRM CCOCCNC(=O)N[C@H](C(=O)[O-])[C@H](C)CC ZINC000040588742 358242113 /nfs/dbraw/zinc/24/21/13/358242113.db2.gz JHJSADGWMOSUTH-BDAKNGLRSA-N -1 0 246.307 0.821 20 0 BCADRM CC1CCN(C(=O)N[C@H](CCO)C(=O)[O-])CC1 ZINC000040700054 358245548 /nfs/dbraw/zinc/24/55/48/358245548.db2.gz SPYDFSFDGBWYRK-SECBINFHSA-N -1 0 244.291 0.264 20 0 BCADRM CCN(C(=O)N[C@@H](CCO)C(=O)[O-])C(C)C ZINC000040710196 358246000 /nfs/dbraw/zinc/24/60/00/358246000.db2.gz LEPIKDOAYQEUJK-QMMMGPOBSA-N -1 0 232.280 0.262 20 0 BCADRM CC(C)(NS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000040910798 358247592 /nfs/dbraw/zinc/24/75/92/358247592.db2.gz OEZIOXAIGQPIAK-UHFFFAOYSA-N -1 0 244.272 0.223 20 0 BCADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)[C@H]1CCOC1 ZINC000134644210 325369418 /nfs/dbraw/zinc/36/94/18/325369418.db2.gz KMEDRVXFVDMROT-BDAKNGLRSA-N -1 0 229.276 0.735 20 0 BCADRM O=C([O-])CCC(=O)NCc1cccc(CO)c1 ZINC000225450056 358300900 /nfs/dbraw/zinc/30/09/00/358300900.db2.gz ZRKCBRKMJODIEL-UHFFFAOYSA-N -1 0 237.255 0.660 20 0 BCADRM C[C@H](C[S@](C)=O)Nc1nc(C(=O)[O-])co1 ZINC000229011747 358344222 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384053679 /nfs/dbraw/zinc/05/36/79/384053679.db2.gz QFEXRUNWXXUEIK-APPZFPTMSA-N -1 0 239.275 0.503 20 0 BCADRM COCc1cc(C(=O)N[C@@H](C)CC(=O)[O-])no1 ZINC000090253279 384038676 /nfs/dbraw/zinc/03/86/76/384038676.db2.gz QLQXZNWNXRFGDR-LURJTMIESA-N -1 0 242.231 0.414 20 0 BCADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC23CC3)CCO1 ZINC000647219168 384089575 /nfs/dbraw/zinc/08/95/75/384089575.db2.gz IZJGAFBXFQKCHK-YUMQZZPRSA-N -1 0 225.244 0.099 20 0 BCADRM CCCS(=O)(=O)NCCCCC(=O)[O-] ZINC000069731905 384061308 /nfs/dbraw/zinc/06/13/08/384061308.db2.gz WGNNJGZXOWDMSW-UHFFFAOYSA-N -1 0 223.294 0.571 20 0 BCADRM COC[C@@H](NC(=O)N[C@H](C)CC(C)C)C(=O)[O-] ZINC000159409959 384068334 /nfs/dbraw/zinc/06/83/34/384068334.db2.gz IQQCZRIWLQEDKM-RKDXNWHRSA-N -1 0 246.307 0.820 20 0 BCADRM CCN(C(=O)Cn1cc(C(=O)[O-])nn1)C(C)C ZINC000090715589 384071900 /nfs/dbraw/zinc/07/19/00/384071900.db2.gz BDHGVYPOWNUWHQ-UHFFFAOYSA-N -1 0 240.263 0.233 20 0 BCADRM C[C@H](NC(=O)[C@@H]1CCCS1)C(=O)[O-] ZINC000069980122 384072277 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/nfs/dbraw/zinc/66/53/34/387665334.db2.gz BTUNVZGINZGQNS-VIFPVBQESA-N -1 0 248.311 0.907 20 0 BCADRM COc1nn(C)cc1NC(=O)c1ncccc1[O-] ZINC000356671046 387696031 /nfs/dbraw/zinc/69/60/31/387696031.db2.gz VOHHTQMYDIXXPR-UHFFFAOYSA-N -1 0 248.242 0.782 20 0 BCADRM C[C@@H](Cn1cccn1)[N-]C(=O)C(F)(F)F ZINC000070266993 387696418 /nfs/dbraw/zinc/69/64/18/387696418.db2.gz KJNBAAQESZCVOH-LURJTMIESA-N -1 0 221.182 0.950 20 0 BCADRM C[C@H]1CCN1S(=O)(=O)c1ncc[n-]1 ZINC000575555497 387690932 /nfs/dbraw/zinc/69/09/32/387690932.db2.gz GFRZJNHHUKSFRU-LURJTMIESA-N -1 0 201.251 0.193 20 0 BCADRM CC(=O)c1ccc(C(=O)N=c2[n-]c(C)no2)[nH]1 ZINC000431321355 387700809 /nfs/dbraw/zinc/70/08/09/387700809.db2.gz CEOHURMESKDMDI-UHFFFAOYSA-N -1 0 234.215 0.583 20 0 BCADRM CC(C)n1ccc(=NC(=O)N=c2cccn[n-]2)[nH]1 ZINC000432239514 387777439 /nfs/dbraw/zinc/77/74/39/387777439.db2.gz DRHKGZLUXUONGT-UHFFFAOYSA-N -1 0 246.274 0.742 20 0 BCADRM Cc1noc(=NC(=O)c2cn3ccnc3s2)[n-]1 ZINC000442615089 387807768 /nfs/dbraw/zinc/80/77/68/387807768.db2.gz ILHUKPINRPFPBL-UHFFFAOYSA-N -1 0 249.255 0.761 20 0 BCADRM CCOCCO[N-]C(=O)[C@@H]1OC[C@H]2CCC[C@H]12 ZINC000377989875 387759247 /nfs/dbraw/zinc/75/92/47/387759247.db2.gz SIIRAUXBICTCFM-OUAUKWLOSA-N -1 0 243.303 0.886 20 0 BCADRM O=C([O-])CCCNC(=O)NC[C@H]1CCCO1 ZINC000019980763 387822457 /nfs/dbraw/zinc/82/24/57/387822457.db2.gz YFWJOGBZFBSTIY-MRVPVSSYSA-N -1 0 230.264 0.329 20 0 BCADRM C[C@@H](CCNS(=O)(=O)CC1CC1)CC(=O)[O-] ZINC000309540307 387816535 /nfs/dbraw/zinc/81/65/35/387816535.db2.gz DQJDCOHOQLRHAG-QMMMGPOBSA-N -1 0 249.332 0.817 20 0 BCADRM COc1cccnc1NC(=O)NCCC(=O)[O-] ZINC000564064938 387818530 /nfs/dbraw/zinc/81/85/30/387818530.db2.gz AAKNHWJNHBPQGG-UHFFFAOYSA-N -1 0 239.231 0.686 20 0 BCADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)NCC(F)F ZINC000168653795 387894185 /nfs/dbraw/zinc/89/41/85/387894185.db2.gz RCVMHYVTDKDNIF-WDSKDSINSA-N -1 0 221.203 0.869 20 0 BCADRM c1ccc(-n2[n-]nnc2=NCC2COC2)cc1 ZINC000528224429 387882898 /nfs/dbraw/zinc/88/28/98/387882898.db2.gz AZMQEDPEBMURON-UHFFFAOYSA-N -1 0 231.259 0.143 20 0 BCADRM CCO[N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000043936042 387913391 /nfs/dbraw/zinc/91/33/91/387913391.db2.gz ICYHKFNGTXUDCL-SSDOTTSWSA-N -1 0 232.280 0.967 20 0 BCADRM C/C=C/CNC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000019479480 387914736 /nfs/dbraw/zinc/91/47/36/387914736.db2.gz HZSXMPSDZIJYJV-ZJELKQJVSA-N -1 0 214.265 0.971 20 0 BCADRM C[C@@H]1CCCC[C@@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000424227325 387939923 /nfs/dbraw/zinc/93/99/23/387939923.db2.gz QOGZBTCWGYZBRP-VDDIYKPWSA-N -1 0 243.303 0.765 20 0 BCADRM CCNC(=O)CC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424241047 387942338 /nfs/dbraw/zinc/94/23/38/387942338.db2.gz YKDKARZLSGOMMG-UHFFFAOYSA-N -1 0 244.291 0.130 20 0 BCADRM C[C@H]1CCC[N@H+](CC(=O)[O-])[C@@H]1C(=O)[O-] ZINC000424265198 387946920 /nfs/dbraw/zinc/94/69/20/387946920.db2.gz JJRJOIBKDGELNQ-XPUUQOCRSA-N -1 0 201.222 0.256 20 0 BCADRM COCC(C)(C)N1CC[NH+]([C@@H](C)C(=O)[O-])CC1 ZINC000424269162 387947632 /nfs/dbraw/zinc/94/76/32/387947632.db2.gz OUCNPCBDSDNSQQ-JTQLQIEISA-N -1 0 244.335 0.502 20 0 BCADRM CC1CC(C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000309646162 387988692 /nfs/dbraw/zinc/98/86/92/387988692.db2.gz WBIRPMUCENFMPS-HACHORDNSA-N -1 0 227.260 0.345 20 0 BCADRM Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])c(C)o1 ZINC000022178324 177802392 /nfs/dbraw/zinc/80/23/92/177802392.db2.gz RQDGVKOMKXYRGX-QMMMGPOBSA-N -1 0 227.216 0.072 20 0 BCADRM Cc1nn(C)cc1C(=O)N(C)C(C)(C)C(=O)[O-] ZINC000082242912 388017055 /nfs/dbraw/zinc/01/70/55/388017055.db2.gz YTVGXESKASMXPC-UHFFFAOYSA-N -1 0 239.275 0.664 20 0 BCADRM C[C@@H](C[C@@H]1CCCO1)NC(=O)C1(C(=O)[O-])CC1 ZINC000440006085 388027369 /nfs/dbraw/zinc/02/73/69/388027369.db2.gz SHZQRMDRUAXMHH-IUCAKERBSA-N -1 0 241.287 0.925 20 0 BCADRM CC[C@@H]1CCC[C@@H]1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000450029882 388028004 /nfs/dbraw/zinc/02/80/04/388028004.db2.gz UQSKUYYZHRVBCY-SFYZADRCSA-N -1 0 238.291 0.953 20 0 BCADRM CC(C)c1noc(=NCCc2ncn(C)n2)[n-]1 ZINC000447067738 388051880 /nfs/dbraw/zinc/05/18/80/388051880.db2.gz LNJJQTJRTKYRCZ-UHFFFAOYSA-N -1 0 236.279 0.398 20 0 BCADRM CN(CC(=O)[O-])S(=O)(=O)CCC1CC1 ZINC000261527550 135152146 /nfs/dbraw/zinc/15/21/46/135152146.db2.gz COSAFBLDIYGIQR-UHFFFAOYSA-N -1 0 221.278 0.133 20 0 BCADRM Cn1c(=O)oc2cc(NC(=O)C(=O)[O-])ccc21 ZINC000083888881 388065556 /nfs/dbraw/zinc/06/55/56/388065556.db2.gz HEGRWQPMLFLGBQ-UHFFFAOYSA-N -1 0 236.183 0.155 20 0 BCADRM CN(C)c1nccc(N2CC[C@H](C(=O)[O-])C2)n1 ZINC000085435656 388088015 /nfs/dbraw/zinc/08/80/15/388088015.db2.gz QFPVUWSVUVENRM-QMMMGPOBSA-N -1 0 236.275 0.454 20 0 BCADRM C[C@@H](CF)NC(=O)NCCCC(=O)[O-] ZINC000646165994 388158610 /nfs/dbraw/zinc/15/86/10/388158610.db2.gz LDDRULVHLNNHSZ-LURJTMIESA-N -1 0 206.217 0.508 20 0 BCADRM CCCC[C@@H](NC(=O)CC(=O)NCC)C(=O)[O-] ZINC000455759993 388168017 /nfs/dbraw/zinc/16/80/17/388168017.db2.gz LXJMOKYFSKBTLN-MRVPVSSYSA-N -1 0 244.291 0.272 20 0 BCADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC2(CCC2)O1 ZINC000646116598 388145465 /nfs/dbraw/zinc/14/54/65/388145465.db2.gz TZNAACUMBSSYAF-QMMMGPOBSA-N -1 0 238.291 0.654 20 0 BCADRM CO[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC000517760024 256538619 /nfs/dbraw/zinc/53/86/19/256538619.db2.gz YKQGQOWKMAEKIS-BDAKNGLRSA-N -1 0 231.292 0.979 20 0 BCADRM Cc1ccc(OCCN=c2nn[n-]n2C)cc1 ZINC000518594887 256581807 /nfs/dbraw/zinc/58/18/07/256581807.db2.gz ABTHBPNDKCXADU-UHFFFAOYSA-N -1 0 233.275 0.431 20 0 BCADRM CCOC(=O)NCC(=O)[N-]O[C@H]1CCCCO1 ZINC000491570295 388304492 /nfs/dbraw/zinc/30/44/92/388304492.db2.gz XWLCLBFFXSDTDD-VIFPVBQESA-N -1 0 246.263 0.307 20 0 BCADRM Cc1nc(=NC(=O)C=Cc2cnccn2)s[n-]1 ZINC000491909610 388327429 /nfs/dbraw/zinc/32/74/29/388327429.db2.gz BGTYOPNFQAFVBP-IHWYPQMZSA-N -1 0 247.283 0.710 20 0 BCADRM CCOCCS(=O)(=O)[N-]C(=O)/C=C/C1CC1 ZINC000491940907 388328613 /nfs/dbraw/zinc/32/86/13/388328613.db2.gz QKYNHAPSCNGWMT-AATRIKPKSA-N -1 0 247.316 0.435 20 0 BCADRM CCOCCS(=O)(=O)[N-]C(=O)/C=C\C1CC1 ZINC000491940909 388328669 /nfs/dbraw/zinc/32/86/69/388328669.db2.gz QKYNHAPSCNGWMT-WAYWQWQTSA-N -1 0 247.316 0.435 20 0 BCADRM Cc1ccc(/C=C/C(=O)NOCCO)nc1 ZINC000491972391 388330156 /nfs/dbraw/zinc/33/01/56/388330156.db2.gz LCAFVJGRFYBXRG-SNAWJCMRSA-N -1 0 222.244 0.443 20 0 BCADRM Cc1cccnc1/C=C/C(=O)NOCCO ZINC000491974953 388330233 /nfs/dbraw/zinc/33/02/33/388330233.db2.gz WTMTWLHQTGDCAP-SNAWJCMRSA-N -1 0 222.244 0.443 20 0 BCADRM C[C@@H](C(=O)N(C)CC(=O)[O-])C(F)(F)F ZINC000261529611 135156082 /nfs/dbraw/zinc/15/60/82/135156082.db2.gz UDHOPQYEGOINCI-BYPYZUCNSA-N -1 0 213.155 0.728 20 0 BCADRM C[C@H](CC(=O)[O-])NC(=O)/C=C\C1CCOCC1 ZINC000492370117 388342804 /nfs/dbraw/zinc/34/28/04/388342804.db2.gz QLGTWLUCLHWALR-PKRMOACSSA-N -1 0 241.287 0.949 20 0 BCADRM CCSCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000261531778 135160817 /nfs/dbraw/zinc/16/08/17/135160817.db2.gz HVABRNWHSTWXCS-SFYZADRCSA-N -1 0 231.317 0.967 20 0 BCADRM CCS(=O)(=O)[N-]c1cncc(Cl)n1 ZINC000162247163 388348382 /nfs/dbraw/zinc/34/83/82/388348382.db2.gz WEAPSSCDALJOFE-UHFFFAOYSA-N -1 0 221.669 0.892 20 0 BCADRM O=C([O-])c1cncnc1N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000305979091 388351561 /nfs/dbraw/zinc/35/15/61/388351561.db2.gz ROZOUAPLRNEPRJ-HGNGGELXSA-N -1 0 249.270 0.382 20 0 BCADRM COCCCN(C)C(=O)[C@@H](C)C(=O)[O-] ZINC000165534500 388404652 /nfs/dbraw/zinc/40/46/52/388404652.db2.gz WMLGYXMQGWMSCC-SSDOTTSWSA-N -1 0 203.238 0.202 20 0 BCADRM Cc1[nH][nH]c(=O)c1CCNC(=O)c1cccnc1 ZINC000524396848 388357220 /nfs/dbraw/zinc/35/72/20/388357220.db2.gz GWXNCINVXSVXDT-JTQLQIEISA-N -1 0 246.270 0.323 20 0 BCADRM CO[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])co2)C1 ZINC000234822226 388360833 /nfs/dbraw/zinc/36/08/33/388360833.db2.gz YFDWBBFZGHOEIV-MRVPVSSYSA-N -1 0 239.227 0.839 20 0 BCADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC[C@H]1CCOC1 ZINC000300362959 388362745 /nfs/dbraw/zinc/36/27/45/388362745.db2.gz ROIUDDUVYGQZSQ-XHNCKOQMSA-N -1 0 227.260 0.250 20 0 BCADRM CC[C@H](NC(=O)NC[C@H]1C[C@H]1C)C(=O)[O-] ZINC000163544254 388364440 /nfs/dbraw/zinc/36/44/40/388364440.db2.gz NKKYZMXXVCFLJD-PRJMDXOYSA-N -1 0 214.265 0.805 20 0 BCADRM CCN(CC(=O)[O-])C(=O)N[C@H](C)CSC ZINC000163582046 388365790 /nfs/dbraw/zinc/36/57/90/388365790.db2.gz GSWKMEBDGPUVOA-SSDOTTSWSA-N -1 0 234.321 0.854 20 0 BCADRM C[C@@H]1C[C@H](NC(=O)CSCC(=O)[O-])CCO1 ZINC000235304094 388367315 /nfs/dbraw/zinc/36/73/15/388367315.db2.gz USOWMWPBRSQBJI-HTQZYQBOSA-N -1 0 247.316 0.488 20 0 BCADRM COCC[C@H](C)NC(=O)[C@H](C)C(=O)[O-] ZINC000165581925 388405419 /nfs/dbraw/zinc/40/54/19/388405419.db2.gz WDXUVFBQPCYJNT-BQBZGAKWSA-N -1 0 203.238 0.248 20 0 BCADRM Cc1ccc(O[C@H](C)CN=c2nn[n-]n2C)cc1 ZINC000524681907 388373054 /nfs/dbraw/zinc/37/30/54/388373054.db2.gz ARMMFGCRUODGRV-SNVBAGLBSA-N -1 0 247.302 0.820 20 0 BCADRM CC[C@@H](C)CC(=O)NC[C@](C)(O)C(=O)[O-] ZINC000164232428 388376785 /nfs/dbraw/zinc/37/67/85/388376785.db2.gz NJVIJJDQCQOWGE-XCBNKYQSSA-N -1 0 217.265 0.374 20 0 BCADRM Nc1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000572812375 388377896 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C[C@H]1C[C@@H]1CNC(=O)NC1(C(=O)[O-])CCC1 ZINC000167204070 388439380 /nfs/dbraw/zinc/43/93/80/388439380.db2.gz YLBFOKVMXUXOQQ-JGVFFNPUSA-N -1 0 226.276 0.949 20 0 BCADRM CC1(S(=O)(=O)N2CC[C@H]2C(=O)[O-])CC1 ZINC000517155603 388539528 /nfs/dbraw/zinc/53/95/28/388539528.db2.gz NYULERMTABZSCE-LURJTMIESA-N -1 0 219.262 0.028 20 0 BCADRM C[C@H](CN(C)C(=O)[C@H](C)C1CC1)c1nnn[n-]1 ZINC000548466986 388540356 /nfs/dbraw/zinc/54/03/56/388540356.db2.gz JPFWEZSJJOJCOV-HTQZYQBOSA-N -1 0 237.307 0.808 20 0 BCADRM CCN(CC)C(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000548533258 388546526 /nfs/dbraw/zinc/54/65/26/388546526.db2.gz FECPTCOJKVRNKS-DTWKUNHWSA-N -1 0 244.291 0.528 20 0 BCADRM CO[C@H](CNC(=O)CCC(=O)[O-])C1CC1 ZINC000356286026 388547693 /nfs/dbraw/zinc/54/76/93/388547693.db2.gz WSMUGXDMJVVDRK-MRVPVSSYSA-N -1 0 215.249 0.392 20 0 BCADRM C[C@@H](CNC(=O)N1CCC[C@@H](O)CC1)C(=O)[O-] ZINC000378719262 388485972 /nfs/dbraw/zinc/48/59/72/388485972.db2.gz PDWICLSGDYHIAI-DTWKUNHWSA-N -1 0 244.291 0.264 20 0 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CC1(C)OCC[C@@H]1NC(=O)c1cc(=O)[nH][n-]1 ZINC000615675341 388581708 /nfs/dbraw/zinc/58/17/08/388581708.db2.gz IMJLDAICIONZTM-ZETCQYMHSA-N -1 0 225.248 0.413 20 0 BCADRM CC(C)(C(=O)[O-])C(=O)NCc1ccccn1 ZINC000077333297 388582059 /nfs/dbraw/zinc/58/20/59/388582059.db2.gz VVXMLWBMTPGIIX-UHFFFAOYSA-N -1 0 222.244 0.809 20 0 BCADRM CC[C@H](O)CCNc1nc(C(=O)[O-])co1 ZINC000218858932 388585704 /nfs/dbraw/zinc/58/57/04/388585704.db2.gz MGHSQNRHRWRIDD-LURJTMIESA-N -1 0 214.221 0.946 20 0 BCADRM CC(C)COCCN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530170947 388619896 /nfs/dbraw/zinc/61/98/96/388619896.db2.gz XZPKKGWFFFYNSB-MNOVXSKESA-N -1 0 245.319 0.833 20 0 BCADRM C[C@@H]1CN(c2cnccn2)C[C@@H](C(=O)[O-])O1 ZINC000530176498 388620817 /nfs/dbraw/zinc/62/08/17/388620817.db2.gz IUIKRMYQXUBRFM-SFYZADRCSA-N -1 0 223.232 0.155 20 0 BCADRM CCOC[C@@H]1CN([C@@H](C)C(=O)[O-])CCO1 ZINC000530172968 388620907 /nfs/dbraw/zinc/62/09/07/388620907.db2.gz QBDDTQANVWUSFU-IUCAKERBSA-N -1 0 217.265 0.197 20 0 BCADRM 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0.333 20 0 BCADRM C[C@H](CNC(=O)N1C[C@@H](C)[C@@H]1C)C(=O)[O-] ZINC000655882016 411153403 /nfs/dbraw/zinc/15/34/03/411153403.db2.gz SSXYAOXILDKHCB-PRJMDXOYSA-N -1 0 214.265 0.757 20 0 BCADRM CC(C)N(C[C@@H](C)O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655884085 411153408 /nfs/dbraw/zinc/15/34/08/411153408.db2.gz DASOJBZHMKVZFQ-RKDXNWHRSA-N -1 0 246.307 0.508 20 0 BCADRM C[C@@H](CNC(=O)NC[C@H](C)C(=O)[O-])C[C@H](C)O ZINC000655884882 411153482 /nfs/dbraw/zinc/15/34/82/411153482.db2.gz LEWPCNNAOLEJCY-VGMNWLOBSA-N -1 0 246.307 0.413 20 0 BCADRM CC(C)[C@](C)(O)CNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655885803 411153532 /nfs/dbraw/zinc/15/35/32/411153532.db2.gz AFKINYVMJQOLLG-LDYMZIIASA-N -1 0 246.307 0.413 20 0 BCADRM C[C@H](CNC(=O)N1CCCCO1)C(=O)[O-] ZINC000655882553 411153621 /nfs/dbraw/zinc/15/36/21/411153621.db2.gz ZPGNTTHXLAHGFH-SSDOTTSWSA-N -1 0 216.237 0.444 20 0 BCADRM C[C@@H](CNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)[O-] ZINC000655882333 411153786 /nfs/dbraw/zinc/15/37/86/411153786.db2.gz IEEPAENPRQKWQC-KDXUFGMBSA-N -1 0 242.275 0.326 20 0 BCADRM C[C@@H](CNC(=O)N(C)C[C@@H](O)C1CC1)C(=O)[O-] ZINC000655883958 411153844 /nfs/dbraw/zinc/15/38/44/411153844.db2.gz BJWMQPQJCPQUJX-IONNQARKSA-N -1 0 244.291 0.119 20 0 BCADRM C[C@@H](CNC(=O)NC1(CO)CCCC1)C(=O)[O-] ZINC000655887079 411154595 /nfs/dbraw/zinc/15/45/95/411154595.db2.gz IKOOKBMQHZAHEM-QMMMGPOBSA-N -1 0 244.291 0.311 20 0 BCADRM C[C@H](C[C@H](C)O)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655890020 411155126 /nfs/dbraw/zinc/15/51/26/411155126.db2.gz XXBWMGMOKPVGAG-PRJMDXOYSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)[C@H](CNC(=O)N1CC(F)C1)C(=O)[O-] ZINC000655895219 411155547 /nfs/dbraw/zinc/15/55/47/411155547.db2.gz SGZSQUDZUWXOGH-QMMMGPOBSA-N -1 0 232.255 0.707 20 0 BCADRM O=C([O-])C12CC(C1)CN2C(=O)Cc1ccon1 ZINC000659178647 411156933 /nfs/dbraw/zinc/15/69/33/411156933.db2.gz PIAXWJOCJXRXDA-UHFFFAOYSA-N -1 0 236.227 0.293 20 0 BCADRM C[C@@H](CC(N)=O)Nc1ccc(C(=O)[O-])cn1 ZINC000123621036 411157868 /nfs/dbraw/zinc/15/78/68/411157868.db2.gz YOZKJAAXWHVTCC-LURJTMIESA-N -1 0 223.232 0.456 20 0 BCADRM CCn1ccc(CC(=O)NCCCC(=O)[O-])n1 ZINC000652051934 411097706 /nfs/dbraw/zinc/09/77/06/411097706.db2.gz WBIILJJLFSMPJM-UHFFFAOYSA-N -1 0 239.275 0.427 20 0 BCADRM CCC(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC000652104004 411119516 /nfs/dbraw/zinc/11/95/16/411119516.db2.gz FOJJLYQFMQURSF-MRVPVSSYSA-N -1 0 229.276 0.925 20 0 BCADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@@H]2C[C@@H]2C)C1 ZINC000653667610 411162468 /nfs/dbraw/zinc/16/24/68/411162468.db2.gz CZPILCIMYSIWIQ-SGIHWFKDSA-N -1 0 241.287 0.733 20 0 BCADRM C/C=C\CNC(=O)NC(C)(C)C(=O)[O-] ZINC000210726170 411123755 /nfs/dbraw/zinc/12/37/55/411123755.db2.gz MRDIBBLEDJOEER-PLNGDYQASA-N -1 0 200.238 0.725 20 0 BCADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000659167529 411124067 /nfs/dbraw/zinc/12/40/67/411124067.db2.gz XHRUKDWZCAGWBH-JXUBOQSCSA-N -1 0 239.271 0.487 20 0 BCADRM CCC(CC)[C@H](O)CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000300709396 411125646 /nfs/dbraw/zinc/12/56/46/411125646.db2.gz DZNFTXYQGLWLNQ-OPRDCNLKSA-N -1 0 243.303 0.620 20 0 BCADRM CCc1cc(N2CCO[C@@H](C(=O)[O-])C2)ncn1 ZINC000043710740 411126031 /nfs/dbraw/zinc/12/60/31/411126031.db2.gz CBSWRCWOLUBVHV-SECBINFHSA-N -1 0 237.259 0.329 20 0 BCADRM O=C([O-])CN(C(=O)[C@H]1CCOC1)C1CCC1 ZINC000655594255 411169638 /nfs/dbraw/zinc/16/96/38/411169638.db2.gz QDYPAIGCJWXMFN-QMMMGPOBSA-N -1 0 227.260 0.489 20 0 BCADRM O=C([O-])CN(C(=O)C[C@H]1CCOC1)C1CCC1 ZINC000655594845 411169975 /nfs/dbraw/zinc/16/99/75/411169975.db2.gz WYZWRDBGBMWBIY-SECBINFHSA-N -1 0 241.287 0.879 20 0 BCADRM O=C([O-])c1cccc(NCCN2CCCC2=O)n1 ZINC000405378207 411172079 /nfs/dbraw/zinc/17/20/79/411172079.db2.gz VPVRWWYIGXGDLS-UHFFFAOYSA-N -1 0 249.270 0.814 20 0 BCADRM C[C@@H](CNc1cn[nH]c(=O)c1Cl)C(=O)[O-] ZINC000656093991 411174041 /nfs/dbraw/zinc/17/40/41/411174041.db2.gz MDARYGOZXACQFQ-BYPYZUCNSA-N -1 0 231.639 0.968 20 0 BCADRM C[C@@H](CNc1cnn(C)c(=O)c1Cl)C(=O)[O-] ZINC000656092829 411174104 /nfs/dbraw/zinc/17/41/04/411174104.db2.gz GAPYJUMAMPMYQH-YFKPBYRVSA-N -1 0 245.666 0.566 20 0 BCADRM O=C([O-])c1cncnc1NCC1=CCOCC1 ZINC000397853724 411243027 /nfs/dbraw/zinc/24/30/27/411243027.db2.gz UAGMAADNUSQRGB-UHFFFAOYSA-N -1 0 235.243 0.933 20 0 BCADRM CC[C@H](NC(=O)[C@@H](C)OCC1CC1)C(=O)[O-] ZINC000123903483 411179565 /nfs/dbraw/zinc/17/95/65/411179565.db2.gz FPBJQJATXXARNV-APPZFPTMSA-N -1 0 229.276 0.781 20 0 BCADRM C[C@@H]1C[C@H](Nc2ncncc2C(=O)[O-])CO1 ZINC000401950486 411182054 /nfs/dbraw/zinc/18/20/54/411182054.db2.gz ZFWMMHGNXLUOJT-RQJHMYQMSA-N -1 0 223.232 0.764 20 0 BCADRM CCCS(=O)(=O)N[C@@H](CCF)C(=O)[O-] ZINC000656163212 411189408 /nfs/dbraw/zinc/18/94/08/411189408.db2.gz RIAPBDOGCZMWLB-LURJTMIESA-N -1 0 227.257 0.129 20 0 BCADRM CCN(CC)C(=O)N[C@H](CCF)C(=O)[O-] ZINC000656165714 411190497 /nfs/dbraw/zinc/19/04/97/411190497.db2.gz YYPMGEFQGLWNIG-SSDOTTSWSA-N -1 0 220.244 0.851 20 0 BCADRM C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)C1(C)CC1 ZINC000656158843 411190586 /nfs/dbraw/zinc/19/05/86/411190586.db2.gz FVAPCXHUZYHIAU-YUMQZZPRSA-N -1 0 247.316 0.806 20 0 BCADRM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@H]1CCOC1 ZINC000401320036 411191492 /nfs/dbraw/zinc/19/14/92/411191492.db2.gz IQNDFTSUZVAAMN-RKDXNWHRSA-N -1 0 229.276 0.735 20 0 BCADRM CC[C@@H](CNC(=O)C[C@H]1CCOC1)C(=O)[O-] ZINC000401327885 411192175 /nfs/dbraw/zinc/19/21/75/411192175.db2.gz OFULAQQQPVXSHV-BDAKNGLRSA-N -1 0 229.276 0.640 20 0 BCADRM Cc1ccn2cnc(C(=O)N[C@H](C)C(=O)[O-])c2c1 ZINC000659761072 411194054 /nfs/dbraw/zinc/19/40/54/411194054.db2.gz DGAOQXRTPUDHNN-MRVPVSSYSA-N -1 0 247.254 0.846 20 0 BCADRM Nc1ccc(C(=O)NCCCCC(=O)[O-])nc1 ZINC000128972989 411194768 /nfs/dbraw/zinc/19/47/68/411194768.db2.gz LTECUPIGGAVXKI-UHFFFAOYSA-N -1 0 237.259 0.649 20 0 BCADRM CN(c1cncc(C(=O)[O-])n1)[C@@H]1CCCOC1 ZINC000402154837 411197667 /nfs/dbraw/zinc/19/76/67/411197667.db2.gz QFDHMYRNTKLPPL-MRVPVSSYSA-N -1 0 237.259 0.790 20 0 BCADRM C[C@@H](CO)N(C)C(=O)NCCCCC(=O)[O-] ZINC000124453091 411202107 /nfs/dbraw/zinc/20/21/07/411202107.db2.gz NYUNHNRPSLCBGO-QMMMGPOBSA-N -1 0 232.280 0.264 20 0 BCADRM COCC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000048631544 411205445 /nfs/dbraw/zinc/20/54/45/411205445.db2.gz SAWLAAFUAWFACV-UHFFFAOYSA-N -1 0 215.249 0.489 20 0 BCADRM Cn1[n-]nnc1=N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000656207971 411209714 /nfs/dbraw/zinc/20/97/14/411209714.db2.gz LNPBPQCVQOSYDL-ZJUUUORDSA-N -1 0 237.307 0.392 20 0 BCADRM CO[C@@](C)(CO)CNc1nnc(C(F)F)o1 ZINC000656208091 411209765 /nfs/dbraw/zinc/20/97/65/411209765.db2.gz KZUCIQBXUSHAII-MRVPVSSYSA-N -1 0 237.206 0.817 20 0 BCADRM CO[C@@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])C1CCC1 ZINC000659764847 411210795 /nfs/dbraw/zinc/21/07/95/411210795.db2.gz NRDFFCLFKRKWDL-PSASIEDQSA-N -1 0 243.303 0.981 20 0 BCADRM Cc1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000048722855 411211826 /nfs/dbraw/zinc/21/18/26/411211826.db2.gz BQFMZDKUUTURKE-UHFFFAOYSA-N -1 0 232.243 0.336 20 0 BCADRM CN(Cc1ccsc1)C(=O)c1n[nH]c(=O)[n-]1 ZINC000048723423 411211844 /nfs/dbraw/zinc/21/18/44/411211844.db2.gz BSFJWAJHLFRPGK-UHFFFAOYSA-N -1 0 238.272 0.844 20 0 BCADRM O=C(Nc1ccc(F)cc1)c1n[nH]c(=O)[n-]1 ZINC000048727251 411213127 /nfs/dbraw/zinc/21/31/27/411213127.db2.gz CDCCLJDMTXFKJK-UHFFFAOYSA-N -1 0 222.179 0.902 20 0 BCADRM C[C@@H](Cc1ccccn1)N=c1nn[n-]n1C ZINC000656221151 411213405 /nfs/dbraw/zinc/21/34/05/411213405.db2.gz FUGVAZGFYRKSRU-QMMMGPOBSA-N -1 0 218.264 0.070 20 0 BCADRM Cc1nc(=NC(=O)CCCCC(=O)[O-])n(C)[nH]1 ZINC000656231844 411215131 /nfs/dbraw/zinc/21/51/31/411215131.db2.gz PUDDNOMICDCKCJ-UHFFFAOYSA-N -1 0 240.263 0.129 20 0 BCADRM C[C@](O)(CNC(=O)C1CC2(CC2)C1)C(=O)[O-] ZINC000659767180 411215635 /nfs/dbraw/zinc/21/56/35/411215635.db2.gz SANOXHNDPDBKLP-JTQLQIEISA-N -1 0 227.260 0.128 20 0 BCADRM COc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)o1 ZINC000656235119 411215702 /nfs/dbraw/zinc/21/57/02/411215702.db2.gz XUXCKFPODIOGSD-SECBINFHSA-N -1 0 239.227 0.881 20 0 BCADRM COC[C@@H](NC(=O)c1ccc(OC)o1)C(=O)[O-] ZINC000656241779 411217281 /nfs/dbraw/zinc/21/72/81/411217281.db2.gz IENVJNHGRPSPJG-ZCFIWIBFSA-N -1 0 243.215 0.118 20 0 BCADRM CC(C)c1n[n-]c(=N[C@H]2C[C@@H](C(N)=O)C2)o1 ZINC000651413674 411223105 /nfs/dbraw/zinc/22/31/05/411223105.db2.gz IORDWXGBWHRZQV-LJGSYFOKSA-N -1 0 224.264 0.291 20 0 BCADRM CCN(C(=O)c1ncoc1C)[C@@H](C)C(=O)[O-] ZINC000659773203 411228163 /nfs/dbraw/zinc/22/81/63/411228163.db2.gz VKIWWBDKDURXDO-LURJTMIESA-N -1 0 226.232 0.918 20 0 BCADRM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1F)CC(=O)[O-] ZINC000399457456 411231453 /nfs/dbraw/zinc/23/14/53/411231453.db2.gz KHIBZIYTGUYYRR-BYULHYEWSA-N -1 0 217.240 0.962 20 0 BCADRM CCN(C(=O)c1cccn1C)[C@@H](C)C(=O)[O-] ZINC000659774560 411231796 /nfs/dbraw/zinc/23/17/96/411231796.db2.gz IGGBKMYSZADVBX-QMMMGPOBSA-N -1 0 224.260 0.960 20 0 BCADRM Cc1ncsc1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000070837035 411232152 /nfs/dbraw/zinc/23/21/52/411232152.db2.gz OWWYXBHEXVJURA-RNFRBKRXSA-N -1 0 240.284 0.788 20 0 BCADRM Cc1ncsc1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000070837038 411232157 /nfs/dbraw/zinc/23/21/57/411232157.db2.gz OWWYXBHEXVJURA-NKWVEPMBSA-N -1 0 240.284 0.788 20 0 BCADRM CN(CC(N)=O)C(=O)c1c([O-])cc(F)cc1F ZINC000049450264 411235663 /nfs/dbraw/zinc/23/56/63/411235663.db2.gz PPIPKCSYLJVDOL-UHFFFAOYSA-N -1 0 244.197 0.228 20 0 BCADRM O=C([O-])CN(C(=O)[C@H]1CCCO1)C1CCC1 ZINC000655588139 411165566 /nfs/dbraw/zinc/16/55/66/411165566.db2.gz UWYYPSIKCMMPAW-SECBINFHSA-N -1 0 227.260 0.631 20 0 BCADRM O=C([O-])CN(C(=O)Cc1cncnc1)C1CCC1 ZINC000655587705 411165575 /nfs/dbraw/zinc/16/55/75/411165575.db2.gz LJVWUYCAMOXMIV-UHFFFAOYSA-N -1 0 249.270 0.485 20 0 BCADRM C[C@@H](Cc1ccccn1)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000655589139 411166066 /nfs/dbraw/zinc/16/60/66/411166066.db2.gz MWZGIJVHOYVCNE-JMJZKYOTSA-N -1 0 248.282 0.850 20 0 BCADRM O=C([O-])CN(C(=O)Cc1ccon1)C1CCC1 ZINC000655588697 411166070 /nfs/dbraw/zinc/16/60/70/411166070.db2.gz NWKIFNTVOCHBFG-UHFFFAOYSA-N -1 0 238.243 0.683 20 0 BCADRM CC[C@H](C)N(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656002162 411167636 /nfs/dbraw/zinc/16/76/36/411167636.db2.gz VRZCKNMMQOQRCB-YUMQZZPRSA-N -1 0 244.291 0.080 20 0 BCADRM CC[C@@H](C)N(C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656002159 411167685 /nfs/dbraw/zinc/16/76/85/411167685.db2.gz VRZCKNMMQOQRCB-HTQZYQBOSA-N -1 0 244.291 0.080 20 0 BCADRM C[C@@H]1CN(c2ncccn2)C[C@H](C(=O)[O-])O1 ZINC000652536231 411265985 /nfs/dbraw/zinc/26/59/85/411265985.db2.gz OWYRNMNIQHOXEB-HTQZYQBOSA-N -1 0 223.232 0.155 20 0 BCADRM O=C([O-])c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc1 ZINC000652536176 411266020 /nfs/dbraw/zinc/26/60/20/411266020.db2.gz MMSKGICCASBMJP-HLTSFMKQSA-N -1 0 235.243 0.907 20 0 BCADRM CCN(C(=O)C(=O)[O-])[C@H]1CCCOC1 ZINC000402604058 411272665 /nfs/dbraw/zinc/27/26/65/411272665.db2.gz LYLSXRASNOCFCT-ZETCQYMHSA-N -1 0 201.222 0.099 20 0 BCADRM C[C@@H]1C[C@H](O)CN(c2cncc(C(=O)[O-])n2)C1 ZINC000401666977 411276907 /nfs/dbraw/zinc/27/69/07/411276907.db2.gz SJIRKEUNELPQPS-SFYZADRCSA-N -1 0 237.259 0.382 20 0 BCADRM CO[C@@H](CNC(=O)CCC(=O)[O-])[C@H]1CCOC1 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COCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050921271 174041744 /nfs/dbraw/zinc/04/17/44/174041744.db2.gz YIGQWPHDKAEMTB-SECBINFHSA-N -1 0 229.276 0.879 20 0 BCADRM COCC(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000070617624 174042263 /nfs/dbraw/zinc/04/22/63/174042263.db2.gz VYUHJLQOMJNESB-SECBINFHSA-N -1 0 201.222 0.099 20 0 BCADRM COCC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000013449510 174044395 /nfs/dbraw/zinc/04/43/95/174044395.db2.gz AVUZTMNSOIRBMX-UHFFFAOYSA-N -1 0 235.239 0.920 20 0 BCADRM COCC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000229012134 174045359 /nfs/dbraw/zinc/04/53/59/174045359.db2.gz YDRFEFSUSUIXJK-QXFUBDJGSA-N -1 0 227.260 0.345 20 0 BCADRM COCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000043593624 174045652 /nfs/dbraw/zinc/04/56/52/174045652.db2.gz NSBAYQCSKWJOKU-LBPRGKRZSA-N -1 0 249.266 0.843 20 0 BCADRM COCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000022155890 174045733 /nfs/dbraw/zinc/04/57/33/174045733.db2.gz OKMLOFRKEJCCGZ-NSHDSACASA-N -1 0 249.266 0.671 20 0 BCADRM COCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000019275232 174052902 /nfs/dbraw/zinc/05/29/02/174052902.db2.gz RDFDIWOUBNWVIA-UHFFFAOYSA-N -1 0 223.228 0.647 20 0 BCADRM COCCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000033432976 174124311 /nfs/dbraw/zinc/12/43/11/174124311.db2.gz CMONMIATCMLBLU-SSDOTTSWSA-N -1 0 201.222 0.099 20 0 BCADRM COCCC(C)(C)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000330833904 174140590 /nfs/dbraw/zinc/14/05/90/174140590.db2.gz WABFZGJBAWUXEP-UHFFFAOYSA-N -1 0 242.279 0.189 20 0 BCADRM COCCC1(C(=O)N[C@@H](C)C(=O)[O-])CCC1 ZINC000237156673 174150524 /nfs/dbraw/zinc/15/05/24/174150524.db2.gz GFHFJCCBZQOPEN-QMMMGPOBSA-N -1 0 229.276 0.783 20 0 BCADRM COCCCC(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000352472948 174160306 /nfs/dbraw/zinc/16/03/06/174160306.db2.gz MINSFLMBISUCJS-QMMMGPOBSA-N -1 0 241.295 0.188 20 0 BCADRM COCCCCNC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062136445 174197209 /nfs/dbraw/zinc/19/72/09/174197209.db2.gz CMVHMBYWUJPGCD-VIFPVBQESA-N -1 0 244.291 0.529 20 0 BCADRM COCCCCNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062136446 174197788 /nfs/dbraw/zinc/19/77/88/174197788.db2.gz CMVHMBYWUJPGCD-SECBINFHSA-N -1 0 244.291 0.529 20 0 BCADRM COCCCN(C)c1cnc(C(=O)[O-])cn1 ZINC000070582480 174220425 /nfs/dbraw/zinc/22/04/25/174220425.db2.gz HOMNSRHAWGDMRM-UHFFFAOYSA-N -1 0 225.248 0.648 20 0 BCADRM COCCCNC(=O)c1cccc(C(=O)[O-])n1 ZINC000036756897 174245370 /nfs/dbraw/zinc/24/53/70/174245370.db2.gz ZNJDVBWYEZNXEK-UHFFFAOYSA-N -1 0 238.243 0.546 20 0 BCADRM COCCCNC(=O)c1ccnc(C(=O)[O-])c1 ZINC000001533824 174246125 /nfs/dbraw/zinc/24/61/25/174246125.db2.gz VVSKWUQAMUXQGU-UHFFFAOYSA-N -1 0 238.243 0.546 20 0 BCADRM COCCCO[N-]C(=O)[C@H](C)n1cccn1 ZINC000288375982 174255781 /nfs/dbraw/zinc/25/57/81/174255781.db2.gz ZHRZLSBVRUDBMW-VIFPVBQESA-N -1 0 227.264 0.528 20 0 BCADRM COCCCO[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@H]21 ZINC000378127839 174256257 /nfs/dbraw/zinc/25/62/57/174256257.db2.gz NBOBAQAFOSNKRU-HBNTYKKESA-N -1 0 243.303 0.886 20 0 BCADRM COCCCO[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000378127837 174256259 /nfs/dbraw/zinc/25/62/59/174256259.db2.gz NBOBAQAFOSNKRU-GARJFASQSA-N -1 0 243.303 0.886 20 0 BCADRM COCCCS(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000341637877 174258571 /nfs/dbraw/zinc/25/85/71/174258571.db2.gz CXCBYUQMUBUNSG-ZCFIWIBFSA-N -1 0 249.254 0.893 20 0 BCADRM COCCN(CC(=O)[O-])C(=O)CCSC ZINC000049606314 174285894 /nfs/dbraw/zinc/28/58/94/174285894.db2.gz YLLVESUBEZPUGG-UHFFFAOYSA-N -1 0 235.305 0.299 20 0 BCADRM COCCN(CC(=O)[O-])C(=O)c1occc1C ZINC000049606128 174286182 /nfs/dbraw/zinc/28/61/82/174286182.db2.gz UBAOMJKIQZJRSK-UHFFFAOYSA-N -1 0 241.243 0.761 20 0 BCADRM COCCN(CC(=O)[O-])C(=O)c1ocnc1C ZINC000147238066 174286315 /nfs/dbraw/zinc/28/63/15/174286315.db2.gz JGQUGMNRZJKRMJ-UHFFFAOYSA-N -1 0 242.231 0.156 20 0 BCADRM COCCN(CC(=O)[O-])C(=O)C1CCCC1 ZINC000049606103 174286544 /nfs/dbraw/zinc/28/65/44/174286544.db2.gz FDNFXDYGUSHONQ-UHFFFAOYSA-N -1 0 229.276 0.736 20 0 BCADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC1(C)C ZINC000234609931 174286566 /nfs/dbraw/zinc/28/65/66/174286566.db2.gz ZRBRCWOGGCWUKG-QMMMGPOBSA-N -1 0 229.276 0.592 20 0 BCADRM COCCN(CC(C)C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037829959 174287455 /nfs/dbraw/zinc/28/74/55/174287455.db2.gz IAKYOZHWDVIUEK-ZJUUUORDSA-N -1 0 243.303 0.838 20 0 BCADRM COCCN(Cc1cccs1)C(=O)C(=O)[O-] ZINC000336739603 174301454 /nfs/dbraw/zinc/30/14/54/174301454.db2.gz LKEPWXOOHYTERG-UHFFFAOYSA-N -1 0 243.284 0.808 20 0 BCADRM COCCOCC(=O)NCCC(C)(C)C(=O)[O-] ZINC000304492988 174346412 /nfs/dbraw/zinc/34/64/12/174346412.db2.gz MLTFRZFKOVAHJT-UHFFFAOYSA-N -1 0 247.291 0.267 20 0 BCADRM COCCOCC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097057978 174346843 /nfs/dbraw/zinc/34/68/43/174346843.db2.gz IWNYHTOXMNGENC-DTWKUNHWSA-N -1 0 245.275 0.019 20 0 BCADRM COCCOCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000036967331 174347090 /nfs/dbraw/zinc/34/70/90/174347090.db2.gz QWCWDUCHUQKSTD-SECBINFHSA-N -1 0 247.291 0.265 20 0 BCADRM COCCS(=O)(=O)[N-]c1nnc(C)s1 ZINC000176593555 174374064 /nfs/dbraw/zinc/37/40/64/174374064.db2.gz CBIRYSSDBUCGJL-UHFFFAOYSA-N -1 0 237.306 0.235 20 0 BCADRM COCC[C@@H](NC(=O)C(C)C)C(=O)[O-] ZINC000052783646 174392852 /nfs/dbraw/zinc/39/28/52/174392852.db2.gz HAZXCTWQVWSDDL-SSDOTTSWSA-N -1 0 203.238 0.248 20 0 BCADRM COCC[C@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000052783683 174416466 /nfs/dbraw/zinc/41/64/66/174416466.db2.gz KKMQVZZDYUZKEE-JTQLQIEISA-N -1 0 237.255 0.906 20 0 BCADRM COC[C@@H]1CCCCN(C(=O)C(=O)[O-])C1 ZINC000308860884 174500923 /nfs/dbraw/zinc/50/09/23/174500923.db2.gz RKAIGCYSBMCRNA-MRVPVSSYSA-N -1 0 215.249 0.346 20 0 BCADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc[nH]1 ZINC000237198793 174520782 /nfs/dbraw/zinc/52/07/82/174520782.db2.gz VNRLYPXVHXBRJJ-LLVKDONJSA-N -1 0 240.259 0.624 20 0 BCADRM COC[C@@](C)(NC(=O)CC1CCC1)C(=O)[O-] ZINC000133899115 174521621 /nfs/dbraw/zinc/52/16/21/174521621.db2.gz KLNPTJVQRIADQZ-LLVKDONJSA-N -1 0 229.276 0.783 20 0 BCADRM COC[C@@](C)(NC(=O)c1ccncc1)C(=O)[O-] ZINC000237223525 174522972 /nfs/dbraw/zinc/52/29/72/174522972.db2.gz WFPOQBYQOSJOMS-LLVKDONJSA-N -1 0 238.243 0.301 20 0 BCADRM COC[C@H](C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000234705124 174535465 /nfs/dbraw/zinc/53/54/65/174535465.db2.gz BGCJXFRAVDTTMK-AEJSXWLSSA-N -1 0 243.303 0.981 20 0 BCADRM COCc1ccc(CNC(=O)C(=O)[O-])cc1 ZINC000274183322 174623094 /nfs/dbraw/zinc/62/30/94/174623094.db2.gz PFHWKSUBJYCVCD-UHFFFAOYSA-N -1 0 223.228 0.534 20 0 BCADRM CC(C)(C)[C@H](O)CNc1ccc(C(=O)[O-])nn1 ZINC000324549342 487628555 /nfs/dbraw/zinc/62/85/55/487628555.db2.gz UOYDJLOOYTXDPO-MRVPVSSYSA-N -1 0 239.275 0.994 20 0 BCADRM COCc1nnc(NC[C@@H](C)C(=O)[O-])s1 ZINC000071673711 174647074 /nfs/dbraw/zinc/64/70/74/174647074.db2.gz HBIKUMVXUSXSAS-RXMQYKEDSA-N -1 0 231.277 0.817 20 0 BCADRM CON(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000277140066 174654731 /nfs/dbraw/zinc/65/47/31/174654731.db2.gz VKRYSRMNUWPCGA-UHFFFAOYSA-N -1 0 242.197 0.463 20 0 BCADRM CO[N-]C(=O)COc1cccc(OC)c1 ZINC000048477153 174664267 /nfs/dbraw/zinc/66/42/67/174664267.db2.gz INSVSSDGRAUAEV-UHFFFAOYSA-N -1 0 211.217 0.752 20 0 BCADRM CO[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC000234930641 174764231 /nfs/dbraw/zinc/76/42/31/174764231.db2.gz CJHCACNBCHWVPB-KDXUFGMBSA-N -1 0 227.260 0.391 20 0 BCADRM CO[C@H](C)C(=O)N(CCC(=O)[O-])C(C)C ZINC000160896598 174803212 /nfs/dbraw/zinc/80/32/12/174803212.db2.gz ALAWSKSLPMHTHH-MRVPVSSYSA-N -1 0 217.265 0.733 20 0 BCADRM CO[C@H](C)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000160899639 174807190 /nfs/dbraw/zinc/80/71/90/174807190.db2.gz KEEQADBWQGVNTI-VDTYLAMSSA-N -1 0 201.222 0.001 20 0 BCADRM CO[C@H](C)CCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000228495641 174810131 /nfs/dbraw/zinc/81/01/31/174810131.db2.gz BIMNBHNOWSHTQE-RKDXNWHRSA-N -1 0 245.275 0.114 20 0 BCADRM CO[C@H](CNC(=O)/C=C/C(C)(C)C)C(=O)[O-] ZINC000291934754 174861629 /nfs/dbraw/zinc/86/16/29/174861629.db2.gz XDLQTVJCHQADBF-HQZHTGGTSA-N -1 0 229.276 0.805 20 0 BCADRM CO[C@H](CNC(=O)c1cccs1)C(=O)[O-] ZINC000227278860 174866162 /nfs/dbraw/zinc/86/61/62/174866162.db2.gz DUJAMAFMUHNNJW-ZCFIWIBFSA-N -1 0 229.257 0.578 20 0 BCADRM COc1cc(OC)nc(NCCCC(=O)[O-])n1 ZINC000134991238 175011601 /nfs/dbraw/zinc/01/16/01/175011601.db2.gz DMBYTPQPUZAAKG-UHFFFAOYSA-N -1 0 241.247 0.771 20 0 BCADRM COc1ccc(C(=O)NC[C@H](C)C(=O)[O-])cn1 ZINC000054333296 175060631 /nfs/dbraw/zinc/06/06/31/175060631.db2.gz PAIQFVAJZPYNLJ-ZETCQYMHSA-N -1 0 238.243 0.541 20 0 BCADRM COc1ccc(CCCNC(=O)C(=O)[O-])cc1 ZINC000274209635 175089936 /nfs/dbraw/zinc/08/99/36/175089936.db2.gz WDPVSQFQQPAKKC-UHFFFAOYSA-N -1 0 237.255 0.829 20 0 BCADRM COc1cccc(OC)c1S([O-])=CC(N)=O ZINC000189667516 175282540 /nfs/dbraw/zinc/28/25/40/175282540.db2.gz IONLTXGOPAVDSQ-MRXNPFEDSA-N -1 0 243.284 0.297 20 0 BCADRM COc1cccc([C@H](C)C(=O)NCC(=O)[O-])c1 ZINC000154341396 175292804 /nfs/dbraw/zinc/29/28/04/175292804.db2.gz AELNQIJZDZCHCH-QMMMGPOBSA-N -1 0 237.255 1.000 20 0 BCADRM COc1ccccc1C(=O)N(C)CC(=O)[O-] ZINC000021959864 175316358 /nfs/dbraw/zinc/31/63/58/175316358.db2.gz MXJIKMVPCMDDRG-UHFFFAOYSA-N -1 0 223.228 0.852 20 0 BCADRM COc1ccccc1S([O-])=CC(=O)N(C)C ZINC000108079663 175356487 /nfs/dbraw/zinc/35/64/87/175356487.db2.gz IOARTMVTLBKZCB-MRXNPFEDSA-N -1 0 241.312 0.891 20 0 BCADRM COc1ccnc(N(C)C[C@H](C)C(=O)[O-])n1 ZINC000042703924 175361750 /nfs/dbraw/zinc/36/17/50/175361750.db2.gz AFMUMRQHCNORHI-ZETCQYMHSA-N -1 0 225.248 0.642 20 0 BCADRM COc1ccnc(NC(=O)CCC(=O)[O-])c1 ZINC000083353094 175363781 /nfs/dbraw/zinc/36/37/81/175363781.db2.gz RIMRXZJURMAHKH-UHFFFAOYSA-N -1 0 224.216 0.894 20 0 BCADRM COc1ncccc1C(=O)NCCCC(=O)[O-] ZINC000036973504 175405281 /nfs/dbraw/zinc/40/52/81/175405281.db2.gz NUZNWJLNWQVHPE-UHFFFAOYSA-N -1 0 238.243 0.685 20 0 BCADRM CSCC(=O)NC[C@@H](C)CC(=O)[O-] ZINC000087980516 175459464 /nfs/dbraw/zinc/45/94/64/175459464.db2.gz STFBVLXFYHFFBE-LURJTMIESA-N -1 0 205.279 0.576 20 0 BCADRM CSCCC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000054051294 175464973 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C[C@H](O[C@@H](C)C(=O)NC/C=C\Cl)C(=O)[O-] ZINC000899854692 584243193 /nfs/dbraw/zinc/24/31/93/584243193.db2.gz MUYXNGIOUHETCE-NBJOHNLQSA-N -1 0 235.667 0.733 20 0 BCADRM CCN(CC(=O)[O-])C(=O)[C@@]1(C)C[C@@H]1F ZINC000399404531 262783227 /nfs/dbraw/zinc/78/32/27/262783227.db2.gz PBJZGBSCKDAPLH-RCOVLWMOSA-N -1 0 203.213 0.668 20 0 BCADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cscn1 ZINC000082626247 487698412 /nfs/dbraw/zinc/69/84/12/487698412.db2.gz GKXJOMPAHVIRCG-RNFRBKRXSA-N -1 0 226.257 0.480 20 0 BCADRM CC[C@@H](Nc1cncc(C(=O)[O-])n1)[C@H](C)O ZINC000395761169 487700857 /nfs/dbraw/zinc/70/08/57/487700857.db2.gz LOSSGTMAYHWBBW-NKWVEPMBSA-N -1 0 225.248 0.746 20 0 BCADRM COC[C@@H](C)NS(=O)(=O)c1ccccc1[O-] ZINC000088112724 487703499 /nfs/dbraw/zinc/70/34/99/487703499.db2.gz KTQVYAYTVONKGJ-MRVPVSSYSA-N -1 0 245.300 0.705 20 0 BCADRM Cc1[nH]nc(C(=O)N(C)Cc2cnccn2)c1[O-] ZINC000676631533 487704183 /nfs/dbraw/zinc/70/41/83/487704183.db2.gz YZOFWIFPHVVNLY-UHFFFAOYSA-N -1 0 247.258 0.486 20 0 BCADRM Cc1cnc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])s1 ZINC000191619033 487705852 /nfs/dbraw/zinc/70/58/52/487705852.db2.gz KELYMHKBDFNEJY-RNFRBKRXSA-N -1 0 240.284 0.788 20 0 BCADRM Cc1cc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])ncn1 ZINC000653318686 487713601 /nfs/dbraw/zinc/71/36/01/487713601.db2.gz VJGHKFFRIHVSCL-PSASIEDQSA-N -1 0 249.270 0.863 20 0 BCADRM CO[C@H](C)[C@H](C)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000249549230 487721169 /nfs/dbraw/zinc/72/11/69/487721169.db2.gz KRZIQQLWBYRQIE-LXGUWJNJSA-N -1 0 215.249 0.247 20 0 BCADRM C[C@H](CNC(=O)NCc1ccncc1)C(=O)[O-] ZINC000054335893 487722464 /nfs/dbraw/zinc/72/24/64/487722464.db2.gz KWGFOSUPLDSGPZ-MRVPVSSYSA-N -1 0 237.259 0.602 20 0 BCADRM C[C@H](CNC(=O)N1CCC[C@@H](CO)C1)C(=O)[O-] ZINC000054336155 487723007 /nfs/dbraw/zinc/72/30/07/487723007.db2.gz KYIWROCSLILIQB-RKDXNWHRSA-N -1 0 244.291 0.121 20 0 BCADRM C[C@@H](CNC(=O)N1CCC[C@@H]1C)C(=O)[O-] ZINC000054336241 487723012 /nfs/dbraw/zinc/72/30/12/487723012.db2.gz GFBKEDRKPJQMKF-YUMQZZPRSA-N -1 0 214.265 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20 0 BCADRM CCCS(=O)(=O)N1CCC(C)(C)[C@H]1C(=O)[O-] ZINC000666167748 487743450 /nfs/dbraw/zinc/74/34/50/487743450.db2.gz NBGFEVLBEMPOKD-MRVPVSSYSA-N -1 0 249.332 0.911 20 0 BCADRM C=C(C)CNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000222838403 487746661 /nfs/dbraw/zinc/74/66/61/487746661.db2.gz IPGKELSFGCCUQB-HTQZYQBOSA-N -1 0 213.233 0.311 20 0 BCADRM C/C=C\C[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC000681204193 487747248 /nfs/dbraw/zinc/74/72/48/487747248.db2.gz FXWSTNXNGSKAJU-VEMNSZJBSA-N -1 0 239.275 0.481 20 0 BCADRM CCN(CC)C(=O)CN(C)[C@@H](C(=O)[O-])C1CC1 ZINC000088796034 487750862 /nfs/dbraw/zinc/75/08/62/487750862.db2.gz YFMUAJXJYAJBNZ-LLVKDONJSA-N -1 0 242.319 0.650 20 0 BCADRM CN(CC(=O)N1CCCC1)[C@H](C(=O)[O-])C1CC1 ZINC000088795954 487750931 /nfs/dbraw/zinc/75/09/31/487750931.db2.gz WJMLXWKUJGNBOW-NSHDSACASA-N -1 0 240.303 0.404 20 0 BCADRM CC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@H](C)C(C)C ZINC000251228019 487751250 /nfs/dbraw/zinc/75/12/50/487751250.db2.gz PLLDFUIEIJLUJJ-ZJUUUORDSA-N -1 0 244.335 0.942 20 0 BCADRM COCCNC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000082923521 487755174 /nfs/dbraw/zinc/75/51/74/487755174.db2.gz SRXBLBIMUSUSMY-RNFRBKRXSA-N -1 0 215.249 0.106 20 0 BCADRM COCCNC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000082923522 487755333 /nfs/dbraw/zinc/75/53/33/487755333.db2.gz SRXBLBIMUSUSMY-BQBZGAKWSA-N -1 0 215.249 0.106 20 0 BCADRM COCCCO[N-]C(=O)[C@H]1CCCO1 ZINC000805036689 585256454 /nfs/dbraw/zinc/25/64/54/585256454.db2.gz CEWMZZNCPAXJJF-MRVPVSSYSA-N -1 0 203.238 0.250 20 0 BCADRM O=C(N[C@@H]1CCC(F)(F)C1)c1n[nH]c(=O)[n-]1 ZINC000675708873 487768470 /nfs/dbraw/zinc/76/84/70/487768470.db2.gz NGUJEMFKVNPKSS-SCSAIBSYSA-N -1 0 232.190 0.428 20 0 BCADRM CN(Cc1n[n-]c(=O)o1)C(=O)C1CC=CC1 ZINC000673478479 487780199 /nfs/dbraw/zinc/78/01/99/487780199.db2.gz OVMMNYNAKZJQQS-UHFFFAOYSA-N -1 0 223.232 0.700 20 0 BCADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1ccoc1 ZINC000673478729 487781838 /nfs/dbraw/zinc/78/18/38/487781838.db2.gz GLJQISQAJDHDQU-UHFFFAOYSA-N -1 0 223.188 0.640 20 0 BCADRM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000385488549 487787858 /nfs/dbraw/zinc/78/78/58/487787858.db2.gz CNNGLRMJPLIQCY-AXTSPUMRSA-N -1 0 239.271 0.202 20 0 BCADRM CO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1(C)C ZINC000300662524 487788276 /nfs/dbraw/zinc/78/82/76/487788276.db2.gz YRQGVJBWXHQGAG-LURQLKTLSA-N -1 0 241.287 0.637 20 0 BCADRM CCC[C@@H](NC(=O)c1n[nH]cc1C)c1nnn[n-]1 ZINC000669609513 487788471 /nfs/dbraw/zinc/78/84/71/487788471.db2.gz VYQPAEBJHFDEMB-SSDOTTSWSA-N -1 0 249.278 0.502 20 0 BCADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1F ZINC000679226307 487789444 /nfs/dbraw/zinc/78/94/44/487789444.db2.gz ZZJVHCDCSYACHB-NKWVEPMBSA-N -1 0 214.244 0.690 20 0 BCADRM CN(CCCC(=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385603738 487791386 /nfs/dbraw/zinc/79/13/86/487791386.db2.gz ZYXOATLOUDMVHS-MBTKJCJQSA-N -1 0 227.260 0.202 20 0 BCADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCc1c[nH]cn1 ZINC000164088522 487794030 /nfs/dbraw/zinc/79/40/30/487794030.db2.gz DQCYQIOTFKHIHK-MRVPVSSYSA-N -1 0 239.275 0.773 20 0 BCADRM CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)[C@H]1CCOC1 ZINC000164132185 487798063 /nfs/dbraw/zinc/79/80/63/487798063.db2.gz RAPQJGGRMSDFHL-IUCAKERBSA-N -1 0 243.303 0.981 20 0 BCADRM O=C([O-])CCN(CC1CC1)C(=O)[C@H]1CCOC1 ZINC000675971463 487798478 /nfs/dbraw/zinc/79/84/78/487798478.db2.gz XFPURJKVQYYMIT-JTQLQIEISA-N -1 0 241.287 0.736 20 0 BCADRM C[C@@H](OCC1CC1)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000675996717 487798902 /nfs/dbraw/zinc/79/89/02/487798902.db2.gz UBSLBPSMPKDHLI-XCBNKYQSSA-N -1 0 241.287 0.781 20 0 BCADRM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000676016834 487799233 /nfs/dbraw/zinc/79/92/33/487799233.db2.gz VTSLCQNIWCUVSU-SSDOTTSWSA-N -1 0 244.291 0.080 20 0 BCADRM CCc1ncncc1C(=O)N(C)CCC(=O)[O-] ZINC000676017327 487799853 /nfs/dbraw/zinc/79/98/53/487799853.db2.gz MYFDBUMTZVQWOF-UHFFFAOYSA-N -1 0 237.259 0.586 20 0 BCADRM CC(=O)NC(C)(C)C(=O)NCCCCC(=O)[O-] ZINC000676017634 487800380 /nfs/dbraw/zinc/80/03/80/487800380.db2.gz PUDIHDDCDBSWPX-UHFFFAOYSA-N -1 0 244.291 0.272 20 0 BCADRM CC(C)(C)[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[O-] ZINC000385869119 487811218 /nfs/dbraw/zinc/81/12/18/487811218.db2.gz YRYMDQIICJUJEN-KDXUFGMBSA-N -1 0 241.287 0.494 20 0 BCADRM CNC(=O)CCN(C)c1ccnc(C(=O)[O-])c1 ZINC000234379610 487813849 /nfs/dbraw/zinc/81/38/49/487813849.db2.gz BCDUUGVVNQJSTF-UHFFFAOYSA-N -1 0 237.259 0.352 20 0 BCADRM CC1(C)C[C@@H]1NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000045139439 487817790 /nfs/dbraw/zinc/81/77/90/487817790.db2.gz FLXYBIQLSBABFA-YUMQZZPRSA-N -1 0 242.275 0.280 20 0 BCADRM CN(CC(=O)[O-])C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000676205124 487820948 /nfs/dbraw/zinc/82/09/48/487820948.db2.gz BSDAQVLGEHHDET-SSDOTTSWSA-N -1 0 237.259 0.373 20 0 BCADRM CC(C)(CCO)NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000142031022 487821405 /nfs/dbraw/zinc/82/14/05/487821405.db2.gz CAVNLSVLTNOJKI-YUMQZZPRSA-N -1 0 243.303 0.620 20 0 BCADRM CC(C)CO[C@@H](C)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000676212229 487822383 /nfs/dbraw/zinc/82/23/83/487822383.db2.gz AHYIRQYSXWDOQF-VHSXEESVSA-N -1 0 243.303 0.981 20 0 BCADRM CCC(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000676219009 487823106 /nfs/dbraw/zinc/82/31/06/487823106.db2.gz YUGYPRITEZERMR-IONNQARKSA-N -1 0 244.291 0.127 20 0 BCADRM CCO[C@@H]1C[C@H]1C(=O)[N-]OCCSC ZINC000794190914 586034906 /nfs/dbraw/zinc/03/49/06/586034906.db2.gz NSBIGCRXOZTVRP-HTQZYQBOSA-N -1 0 219.306 0.822 20 0 BCADRM CC(C)(C)CN(CCO)C(=O)NCCC(=O)[O-] ZINC000666551607 487830036 /nfs/dbraw/zinc/83/00/36/487830036.db2.gz PCSASWBTLBGFNO-UHFFFAOYSA-N -1 0 246.307 0.511 20 0 BCADRM CCCS(=O)(=O)CC(=O)[N-]OC1CCC1 ZINC000812791438 586585243 /nfs/dbraw/zinc/58/52/43/586585243.db2.gz PDPYJTORBBSGFI-UHFFFAOYSA-N -1 0 235.305 0.412 20 0 BCADRM CC(=O)N[C@](C)(C(=O)[N-]OC(C)C)C(C)C ZINC000821214759 587101898 /nfs/dbraw/zinc/10/18/98/587101898.db2.gz SOIIKKJKFZCKRC-NSHDSACASA-N -1 0 230.308 0.993 20 0 BCADRM CC[C@H]1C[C@@H](C)CN1C(=O)CNC(=O)[O-] ZINC000826661877 587358361 /nfs/dbraw/zinc/35/83/61/587358361.db2.gz UIYMFPUICNYSBY-SFYZADRCSA-N -1 0 214.265 0.901 20 0 BCADRM CCC[C@H](O)CNC(=O)NCCCCC(=O)[O-] ZINC000666562378 487832325 /nfs/dbraw/zinc/83/23/25/487832325.db2.gz REDSYOBBTMUBMK-VIFPVBQESA-N -1 0 246.307 0.702 20 0 BCADRM CC[C@@H](C(=O)N(C)C[C@H](C)C(=O)[O-])[NH+](C)C ZINC000828587662 587452027 /nfs/dbraw/zinc/45/20/27/587452027.db2.gz WAMRIISPMIDBDX-IUCAKERBSA-N -1 0 230.308 0.506 20 0 BCADRM CC(=O)C[C@@H](C)NC(=O)C(C)(C)NC(=O)[O-] ZINC000833387707 587713180 /nfs/dbraw/zinc/71/31/80/587713180.db2.gz KMPVXXBFSDYKEH-ZCFIWIBFSA-N -1 0 230.264 0.516 20 0 BCADRM CCC[C@@](C)(O)C(=O)[N-]O[C@@H](CO)C(C)C ZINC000836896084 587842271 /nfs/dbraw/zinc/84/22/71/587842271.db2.gz ZVFULRDPUUNONT-GXSJLCMTSA-N -1 0 233.308 0.602 20 0 BCADRM CCOCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836905295 587842781 /nfs/dbraw/zinc/84/27/81/587842781.db2.gz KDKKTTCGXZZFTM-QMMMGPOBSA-N -1 0 205.254 0.088 20 0 BCADRM 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CC(C)N(C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824323308 587265957 /nfs/dbraw/zinc/26/59/57/587265957.db2.gz AVINRFQOWNAKCK-VIFPVBQESA-N -1 0 244.291 0.622 20 0 BCADRM CC(C)N(C)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000824323590 587266032 /nfs/dbraw/zinc/26/60/32/587266032.db2.gz GLKURLTVXCWNPY-MRVPVSSYSA-N -1 0 229.280 0.789 20 0 BCADRM CC(C)N(CCC(=O)N1CC[C@@H](O)C1)C(=O)[O-] ZINC000824336424 587266890 /nfs/dbraw/zinc/26/68/90/587266890.db2.gz PUCAZSYNHZCCCS-SECBINFHSA-N -1 0 244.291 0.358 20 0 BCADRM CC(C)NC(=O)CN1CCC[C@@H]1CNC(=O)[O-] ZINC000824367860 587267777 /nfs/dbraw/zinc/26/77/77/587267777.db2.gz HRFFFXJKOAYPTR-SECBINFHSA-N -1 0 243.307 0.243 20 0 BCADRM CC(C)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824369933 587267825 /nfs/dbraw/zinc/26/78/25/587267825.db2.gz WODRZAQHHOKONX-MRVPVSSYSA-N -1 0 230.264 0.280 20 0 BCADRM CC(C)OCC(=O)NCC(C)(C)NC(=O)[O-] ZINC000824392733 587268992 /nfs/dbraw/zinc/26/89/92/587268992.db2.gz CNJLJSLKNYADBA-UHFFFAOYSA-N -1 0 232.280 0.574 20 0 BCADRM C[C@H](CC(=O)N(C)Cc1cn[nH]c1)NC(=O)[O-] ZINC000824558617 587276128 /nfs/dbraw/zinc/27/61/28/587276128.db2.gz UGHYDFYZKWTNIH-SSDOTTSWSA-N -1 0 240.263 0.414 20 0 BCADRM C[C@@H](CC(=O)N1CC(C(F)F)C1)NC(=O)[O-] ZINC000824564774 587276766 /nfs/dbraw/zinc/27/67/66/587276766.db2.gz JOBVPDTYYVZPPZ-YFKPBYRVSA-N -1 0 236.218 0.756 20 0 BCADRM C[C@@H](CC(=O)N1CC[C@@](C)(O)C1)NC(=O)[O-] ZINC000824565785 587276777 /nfs/dbraw/zinc/27/67/77/587276777.db2.gz RMHUILPPJPNXMA-OIBJUYFYSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@@H](CC(=O)N1CCC(O)CC1)NC(=O)[O-] ZINC000824573667 587277053 /nfs/dbraw/zinc/27/70/53/587277053.db2.gz VDRNJXALQHBWJW-ZETCQYMHSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@@H](CC(=O)N1CCCSCC1)NC(=O)[O-] ZINC000824589437 587278631 /nfs/dbraw/zinc/27/86/31/587278631.db2.gz DBHGXRJLHMNJFM-QMMMGPOBSA-N -1 0 246.332 0.998 20 0 BCADRM C[C@H](CC(=O)N1CCSC[C@H]1C)NC(=O)[O-] ZINC000824599858 587278784 /nfs/dbraw/zinc/27/87/84/587278784.db2.gz SOULZTPECGKOMF-HTQZYQBOSA-N -1 0 246.332 0.997 20 0 BCADRM C[C@H](CC(=O)N1CCO[C@@H](C)[C@H]1C)NC(=O)[O-] ZINC000824600546 587278848 /nfs/dbraw/zinc/27/88/48/587278848.db2.gz YXTDINPYAUIKJH-HLTSFMKQSA-N -1 0 244.291 0.668 20 0 BCADRM C[C@@H](CC(=O)N1CCSC[C@H]1C)NC(=O)[O-] ZINC000824599860 587278960 /nfs/dbraw/zinc/27/89/60/587278960.db2.gz SOULZTPECGKOMF-JGVFFNPUSA-N -1 0 246.332 0.997 20 0 BCADRM C[C@@H](CC(=O)N1CCO[C@H](C)C1)NC(=O)[O-] ZINC000824600286 587279060 /nfs/dbraw/zinc/27/90/60/587279060.db2.gz WHZFYYODSVCGKD-JGVFFNPUSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@H](CC(=O)N[C@H](C)[C@@H](C)CO)NC(=O)[O-] ZINC000824607273 587279236 /nfs/dbraw/zinc/27/92/36/587279236.db2.gz WRKMWOPAAHSUJO-XLPZGREQSA-N -1 0 232.280 0.166 20 0 BCADRM C[C@@H](CC(=O)NC1=NCCS1)NC(=O)[O-] ZINC000824614533 587279341 /nfs/dbraw/zinc/27/93/41/587279341.db2.gz KPRNKNZYCVZNIE-YFKPBYRVSA-N -1 0 231.277 0.252 20 0 BCADRM CC(C)[C@@H](O)CNC(=O)C[C@H](C)NC(=O)[O-] ZINC000824629801 587280099 /nfs/dbraw/zinc/28/00/99/587280099.db2.gz RSEGHRJEOSAFIJ-YUMQZZPRSA-N -1 0 232.280 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248.290 0.833 20 0 BCADRM C[C@@H](CC(=O)Nc1nncs1)NC(=O)[O-] ZINC000824710304 587283812 /nfs/dbraw/zinc/28/38/12/587283812.db2.gz HHVDYVGYQZJZOY-BYPYZUCNSA-N -1 0 230.249 0.523 20 0 BCADRM CC(C)[C@@H](OC(=O)C[C@H](C)NC(=O)[O-])C(N)=O ZINC000824709467 587283997 /nfs/dbraw/zinc/28/39/97/587283997.db2.gz BITPIUNKVNTNOT-POYBYMJQSA-N -1 0 246.263 0.086 20 0 BCADRM CC(C)C(=O)COC(=O)C[C@H](C)NC(=O)[O-] ZINC000824720830 587284250 /nfs/dbraw/zinc/28/42/50/587284250.db2.gz PLCCUQMMZBCXEG-ZETCQYMHSA-N -1 0 231.248 0.801 20 0 BCADRM C[C@H](CC(=O)OCc1ccno1)NC(=O)[O-] ZINC000824736671 587284657 /nfs/dbraw/zinc/28/46/57/587284657.db2.gz SEFYUVSYUNPWER-ZCFIWIBFSA-N -1 0 228.204 0.764 20 0 BCADRM O=C(CN1CCOC1=O)[N-]OCC1CCC1 ZINC000824735266 587284905 /nfs/dbraw/zinc/28/49/05/587284905.db2.gz BJQVESYXRVWLIQ-UHFFFAOYSA-N -1 0 228.248 0.287 20 0 BCADRM C[C@H](C[C@@H]1CCOC1)NC(=O)[C@H](C)NC(=O)[O-] ZINC000824766287 587286576 /nfs/dbraw/zinc/28/65/76/587286576.db2.gz BUGTWXBRXMIZCQ-VGMNWLOBSA-N -1 0 244.291 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CC[C@@H]1CCN(C(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000826675900 587358922 /nfs/dbraw/zinc/35/89/22/587358922.db2.gz TZTDETYGCFRJNV-MRVPVSSYSA-N -1 0 241.291 0.790 20 0 BCADRM CC[C@@H]1CN(C(=O)C[C@H](C)NC(=O)[O-])CCO1 ZINC000826682739 587359089 /nfs/dbraw/zinc/35/90/89/587359089.db2.gz OXURBLBVVAPEHS-DTWKUNHWSA-N -1 0 244.291 0.670 20 0 BCADRM CC/C=C/COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826699548 587359487 /nfs/dbraw/zinc/35/94/87/587359487.db2.gz LXEJRFPXIPAANK-NWALNABHSA-N -1 0 243.259 0.875 20 0 BCADRM CCCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000826705909 587359742 /nfs/dbraw/zinc/35/97/42/587359742.db2.gz JEQGYCDLKUBWAQ-VIFPVBQESA-N -1 0 243.307 0.197 20 0 BCADRM CCC[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000826736989 587360668 /nfs/dbraw/zinc/36/06/68/587360668.db2.gz ZFYXXYWGOXVKPC-YIZRAAEISA-N -1 0 245.275 0.831 20 0 BCADRM CCC[C@H](C)NC(=O)NC1CN(C(=O)[O-])C1 ZINC000826736435 587360669 /nfs/dbraw/zinc/36/06/69/587360669.db2.gz UYVLZKSHDJTENH-ZETCQYMHSA-N -1 0 229.280 0.836 20 0 BCADRM CCC[C@@H](CCO)CNC(=O)CN(C)C(=O)[O-] ZINC000826736944 587360854 /nfs/dbraw/zinc/36/08/54/587360854.db2.gz YDGXORPYDWEJLX-VIFPVBQESA-N -1 0 246.307 0.511 20 0 BCADRM CC(C)CC(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000826748210 587360887 /nfs/dbraw/zinc/36/08/87/587360887.db2.gz XXMDQUWBIQCYMX-IUCAKERBSA-N -1 0 228.244 0.866 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)N1CC[C@@](C)(O)C1 ZINC000826743607 587360942 /nfs/dbraw/zinc/36/09/42/587360942.db2.gz KRSRECBDLRQCJQ-GZMMTYOYSA-N -1 0 244.291 0.406 20 0 BCADRM CC(C)CC(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000826748212 587361012 /nfs/dbraw/zinc/36/10/12/587361012.db2.gz XXMDQUWBIQCYMX-RKDXNWHRSA-N -1 0 228.244 0.866 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)CCCO ZINC000826751025 587361094 /nfs/dbraw/zinc/36/10/94/587361094.db2.gz LQTZYGWWCPZFCA-DTWKUNHWSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NC[C@@H](O)C1CC1 ZINC000826750091 587361117 /nfs/dbraw/zinc/36/11/17/587361117.db2.gz GKKRMLFKONDMDR-RKDXNWHRSA-N -1 0 244.291 0.310 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NCC1(O)CCC1 ZINC000826751103 587361141 /nfs/dbraw/zinc/36/11/41/587361141.db2.gz MIEZMHYVHVZDOI-QMMMGPOBSA-N -1 0 244.291 0.454 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NC[C@@](C)(O)CC ZINC000826752415 587361215 /nfs/dbraw/zinc/36/12/15/587361215.db2.gz UQSHXIVAUIDJSV-KCJUWKMLSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@@H](O)CNC(=O)CN(CC)C(=O)[O-] ZINC000826763715 587361281 /nfs/dbraw/zinc/36/12/81/587361281.db2.gz DCACAULDLIPELW-MRVPVSSYSA-N -1 0 232.280 0.264 20 0 BCADRM CCC[C@H](O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000826766013 587361709 /nfs/dbraw/zinc/36/17/09/587361709.db2.gz XPLZJEWUPVWARV-IUCAKERBSA-N -1 0 246.307 0.556 20 0 BCADRM CCC[C@H]1C[C@H]1NC(=O)[C@@H](C)NC(=O)[O-] ZINC000826775564 587362115 /nfs/dbraw/zinc/36/21/15/587362115.db2.gz QWLGHZGCUDSQKV-GJMOJQLCSA-N -1 0 214.265 0.947 20 0 BCADRM CCC[C@H]1C[C@@H]1NC(=O)CCNC(=O)[O-] ZINC000826774862 587361942 /nfs/dbraw/zinc/36/19/42/587361942.db2.gz KRATZIWDDKIUCB-YUMQZZPRSA-N -1 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602477447 /nfs/dbraw/zinc/47/74/47/602477447.db2.gz HZFQEDPWNMWOMU-MRVPVSSYSA-N -1 0 230.264 0.282 20 0 BCADRM COC[C@H](C)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739800647 602477574 /nfs/dbraw/zinc/47/75/74/602477574.db2.gz FEMUMCDHLMKROF-YUMQZZPRSA-N -1 0 230.264 0.137 20 0 BCADRM COCC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739802590 602477630 /nfs/dbraw/zinc/47/76/30/602477630.db2.gz DXEMRBKCROUYSG-QMMMGPOBSA-N -1 0 230.264 0.091 20 0 BCADRM CCCSCC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739376542 602478476 /nfs/dbraw/zinc/47/84/76/602478476.db2.gz SCMIOYVLJKQRBR-MRVPVSSYSA-N -1 0 246.332 0.998 20 0 BCADRM COC(C)(C)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739794513 602478599 /nfs/dbraw/zinc/47/85/99/602478599.db2.gz ZDHVBBOGVVSVGJ-ZETCQYMHSA-N -1 0 230.264 0.280 20 0 BCADRM O=C([O-])N1CCC[C@@H]1C(=O)O[C@H]1CCOC1 ZINC000740719586 602478778 /nfs/dbraw/zinc/47/87/78/602478778.db2.gz CJUSUSYKEYJQEF-JGVFFNPUSA-N -1 0 229.232 0.461 20 0 BCADRM Cn1ccc(NC(=O)NCCCNC(=O)[O-])n1 ZINC000740291372 602479726 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639042005 /nfs/dbraw/zinc/04/20/05/639042005.db2.gz GFYOKPNQAJAXMO-RKDXNWHRSA-N -1 0 243.303 0.907 20 0 BCADRM O=C([O-])CCNC(=O)C[C@@H]1CCCC[C@H]1O ZINC000908670621 639042077 /nfs/dbraw/zinc/04/20/77/639042077.db2.gz PZJQRCOGNVUOCR-DTWKUNHWSA-N -1 0 229.276 0.519 20 0 BCADRM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCCC(=O)[O-] ZINC000908671331 639043032 /nfs/dbraw/zinc/04/30/32/639043032.db2.gz SXVWAMNQHIAVLQ-BWVDBABLSA-N -1 0 215.249 0.248 20 0 BCADRM O=C([O-])CCNC(=O)C1(c2cccnc2)CC1 ZINC000908671107 639043078 /nfs/dbraw/zinc/04/30/78/639043078.db2.gz KYFQBJRONWVRHN-UHFFFAOYSA-N -1 0 234.255 0.704 20 0 BCADRM O=C([O-])CCNC(=O)Cc1ccc2c(c1)COC2 ZINC000908670927 639043757 /nfs/dbraw/zinc/04/37/57/639043757.db2.gz ZYWHLWDRRHXUQS-UHFFFAOYSA-N -1 0 249.266 0.850 20 0 BCADRM COC[C@@H](C)[C@H](C)C(=O)NCCC(=O)[O-] ZINC000908671500 639043855 /nfs/dbraw/zinc/04/38/55/639043855.db2.gz ZPGBEMNLZXZRCS-SFYZADRCSA-N -1 0 217.265 0.496 20 0 BCADRM COC[C@H](C)[C@@H](C)C(=O)NCCC(=O)[O-] ZINC000908671499 639043860 /nfs/dbraw/zinc/04/38/60/639043860.db2.gz ZPGBEMNLZXZRCS-JGVFFNPUSA-N -1 0 217.265 0.496 20 0 BCADRM O=C([O-])[C@@H](CF)NC(=O)NCC1CCOCC1 ZINC000908689725 639044443 /nfs/dbraw/zinc/04/44/43/639044443.db2.gz ZCWLKIALBJRBGP-MRVPVSSYSA-N -1 0 248.254 0.135 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](C)COC ZINC000908698537 639048116 /nfs/dbraw/zinc/04/81/16/639048116.db2.gz PBWZWGMOFFYWSR-NKWVEPMBSA-N -1 0 203.238 0.248 20 0 BCADRM COCCCOCC(=O)NC(C)(C)C(=O)[O-] ZINC000908838930 639077694 /nfs/dbraw/zinc/07/76/94/639077694.db2.gz NNXRUQIWFWPKLT-UHFFFAOYSA-N -1 0 233.264 0.019 20 0 BCADRM CCOC1CC(CCNC(=O)NCC(=O)[O-])C1 ZINC000908704665 639055262 /nfs/dbraw/zinc/05/52/62/639055262.db2.gz WUJAFFHLAXVOBH-UHFFFAOYSA-N -1 0 244.291 0.575 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N(CC)C[C@@H]1CCOC1 ZINC000908730504 639058578 /nfs/dbraw/zinc/05/85/78/639058578.db2.gz ZVTMPBDRPSQBBG-UWVGGRQHSA-N -1 0 243.303 0.982 20 0 BCADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000908734000 639059423 /nfs/dbraw/zinc/05/94/23/639059423.db2.gz RBKOLQQWCKBLLP-OPRDCNLKSA-N -1 0 243.303 0.979 20 0 BCADRM COCC[C@@H](C)NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000908773757 639061349 /nfs/dbraw/zinc/06/13/49/639061349.db2.gz MPGWIZIMBIFPEQ-HUUUCTMMSA-N -1 0 241.287 0.783 20 0 BCADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCOC1 ZINC000908783338 639064187 /nfs/dbraw/zinc/06/41/87/639064187.db2.gz PKIZJDLPJNTOHJ-JGVFFNPUSA-N -1 0 215.249 0.392 20 0 BCADRM O=C([O-])[C@@H](CF)NC(=O)NC(C1CC1)C1CC1 ZINC000908767938 639064861 /nfs/dbraw/zinc/06/48/61/639064861.db2.gz BPVFGVQOQWVSMJ-MRVPVSSYSA-N -1 0 244.266 0.897 20 0 BCADRM CCC[C@@](C)(O)CNC(=O)[C@H](CC)C(=O)[O-] ZINC000908797999 639065753 /nfs/dbraw/zinc/06/57/53/639065753.db2.gz RSZPLLCALMNVGI-GZMMTYOYSA-N -1 0 231.292 0.765 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](COC)C1 ZINC000908794177 639065998 /nfs/dbraw/zinc/06/59/98/639065998.db2.gz IJQQZMXPDXJKLB-ZJUUUORDSA-N -1 0 243.303 0.982 20 0 BCADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](C)[C@H]1CCOC1 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ZINC000908831169 639080416 /nfs/dbraw/zinc/08/04/16/639080416.db2.gz YJRADULMSNDNFO-BDAKNGLRSA-N -1 0 231.292 0.765 20 0 BCADRM CCC[C@@](C)(NC(=O)[C@@H](CC)CO)C(=O)[O-] ZINC000908866051 639082540 /nfs/dbraw/zinc/08/25/40/639082540.db2.gz JCWGHJXAIOSNCL-GZMMTYOYSA-N -1 0 231.292 0.765 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)CCC(C)(C)O ZINC000908865245 639083171 /nfs/dbraw/zinc/08/31/71/639083171.db2.gz OEDUWRFEDJQOBN-UHFFFAOYSA-N -1 0 231.292 0.861 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)/C=C\[C@@H]1CCOC1 ZINC000908858553 639085528 /nfs/dbraw/zinc/08/55/28/639085528.db2.gz IWJXBHWKPGUPQY-UMBAGQNISA-N -1 0 241.287 0.902 20 0 BCADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](O)C(C)C ZINC000908857286 639085893 /nfs/dbraw/zinc/08/58/93/639085893.db2.gz BUCSVYLOZOEZGA-NSHDSACASA-N -1 0 245.319 0.963 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)c1cnco1 ZINC000908858333 639086273 /nfs/dbraw/zinc/08/62/73/639086273.db2.gz LQGGWCYTSKWNRH-UHFFFAOYSA-N -1 0 212.205 0.611 20 0 BCADRM CCN(CCC(=O)[O-])C(=O)[C@@H]1C[C@]12CCOC2 ZINC000908862070 639087093 /nfs/dbraw/zinc/08/70/93/639087093.db2.gz JTLAZBLGUFTTGZ-CABZTGNLSA-N -1 0 241.287 0.736 20 0 BCADRM Cc1nc(C(=O)N(CC(=O)[O-])C2CC2)c(C)o1 ZINC000908890562 639087128 /nfs/dbraw/zinc/08/71/28/639087128.db2.gz OERBOWJFXDRCME-UHFFFAOYSA-N -1 0 238.243 0.981 20 0 BCADRM Cc1nc(C(=O)N(CC(=O)[O-])C2CC2)co1 ZINC000908890115 639087937 /nfs/dbraw/zinc/08/79/37/639087937.db2.gz CJKMIEZYKOLHQA-UHFFFAOYSA-N -1 0 224.216 0.672 20 0 BCADRM CCC[C@H](OC)C(=O)N(CC(=O)[O-])C1CC1 ZINC000908893734 639089131 /nfs/dbraw/zinc/08/91/31/639089131.db2.gz SQLVCYAVUQSMCT-VIFPVBQESA-N -1 0 229.276 0.877 20 0 BCADRM C[C@H](O)C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000908877911 639089217 /nfs/dbraw/zinc/08/92/17/639089217.db2.gz MEACMBCXVRIDNW-ZETCQYMHSA-N -1 0 215.249 0.081 20 0 BCADRM CC(C)(O)CC(=O)N(CCC(=O)[O-])C1CC1 ZINC000908873008 639089415 /nfs/dbraw/zinc/08/94/15/639089415.db2.gz JQMQXESTLVMLLT-UHFFFAOYSA-N -1 0 229.276 0.613 20 0 BCADRM CCC[C@@](C)(NC(=O)[C@@H](O)C(C)C)C(=O)[O-] ZINC000908873202 639089460 /nfs/dbraw/zinc/08/94/60/639089460.db2.gz XOWDENWUVDDFNH-GZMMTYOYSA-N -1 0 231.292 0.763 20 0 BCADRM CSCC[C@H](O)C(=O)N(CC(=O)[O-])C1CC1 ZINC000908889352 639090589 /nfs/dbraw/zinc/09/05/89/639090589.db2.gz PETNSKUILHNCBL-QMMMGPOBSA-N -1 0 247.316 0.176 20 0 BCADRM O=C([O-])CN(C(=O)C1CC(=O)C1)C1CC1 ZINC000908889042 639090657 /nfs/dbraw/zinc/09/06/57/639090657.db2.gz KXFCYBYDBXTWIG-UHFFFAOYSA-N -1 0 211.217 0.041 20 0 BCADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H](O)C1CCC1 ZINC000908880500 639090688 /nfs/dbraw/zinc/09/06/88/639090688.db2.gz XXGAHBFDYJXYOU-LLVKDONJSA-N -1 0 243.303 0.717 20 0 BCADRM CCn1ncc(C(=O)N(CC(=O)[O-])C(C)C)n1 ZINC000908917505 639091908 /nfs/dbraw/zinc/09/19/08/639091908.db2.gz BJPOOJLNFPARDV-UHFFFAOYSA-N -1 0 240.263 0.233 20 0 BCADRM CC[C@@H](O)[C@H](C)C(=O)N(CC(=O)[O-])C1CC1 ZINC000908897087 639093236 /nfs/dbraw/zinc/09/32/36/639093236.db2.gz JOKZWRGKFOAMST-IONNQARKSA-N -1 0 229.276 0.469 20 0 BCADRM CCN(CC(=O)[O-])C(=O)c1cccc2n[nH]nc21 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ZINC000908924004 639101059 /nfs/dbraw/zinc/10/10/59/639101059.db2.gz PQCITPHUTLSVMV-ZETCQYMHSA-N -1 0 243.181 0.892 20 0 BCADRM CCN(CC(=O)[O-])C(=O)Cn1cc(Cl)cn1 ZINC000908951172 639101431 /nfs/dbraw/zinc/10/14/31/639101431.db2.gz RERQZPVVUPJDJN-UHFFFAOYSA-N -1 0 245.666 0.470 20 0 BCADRM CC[C@@](C)(NC(=O)C1CCC(O)CC1)C(=O)[O-] ZINC000908927104 639102458 /nfs/dbraw/zinc/10/24/58/639102458.db2.gz CZQCLYCHZFPIPJ-SHVIVCPWSA-N -1 0 243.303 0.907 20 0 BCADRM CC[C@@](C)(NC(=O)C1=CCOCC1)C(=O)[O-] ZINC000908926135 639102816 /nfs/dbraw/zinc/10/28/16/639102816.db2.gz XQAFFDYIEYNZQB-LLVKDONJSA-N -1 0 227.260 0.703 20 0 BCADRM CC[C@@](C)(NC(=O)Cn1nccc1C)C(=O)[O-] ZINC000908926382 639103036 /nfs/dbraw/zinc/10/30/36/639103036.db2.gz OPVCDADBOUCHHZ-LLVKDONJSA-N -1 0 239.275 0.561 20 0 BCADRM CC[C@](C)(NC(=O)c1ncc[nH]1)C(=O)[O-] ZINC000908928317 639103077 /nfs/dbraw/zinc/10/30/77/639103077.db2.gz RCTLSFDTDNNERB-VIFPVBQESA-N -1 0 211.221 0.393 20 0 BCADRM CCN(CC(=O)[O-])C(=O)C[C@H]1CCCOC1 ZINC000908961254 639104725 /nfs/dbraw/zinc/10/47/25/639104725.db2.gz YJPQYXBXPUDQLQ-SECBINFHSA-N -1 0 229.276 0.736 20 0 BCADRM CC(C)[C@H](O)C(=O)N(CCC(=O)[O-])C(C)C ZINC000908962324 639105243 /nfs/dbraw/zinc/10/52/43/639105243.db2.gz ZSAAUWMQVLUFKE-JTQLQIEISA-N -1 0 231.292 0.715 20 0 BCADRM CCN(CC(=O)[O-])C(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000908951918 639108196 /nfs/dbraw/zinc/10/81/96/639108196.db2.gz YQVKCVVPXSEIBI-RKDXNWHRSA-N -1 0 241.287 0.925 20 0 BCADRM C[C@H](O)C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000908976117 639108449 /nfs/dbraw/zinc/10/84/49/639108449.db2.gz BMKMCOXKEUFWMC-ISVAXAHUSA-N -1 0 249.266 0.410 20 0 BCADRM CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000908952738 639109240 /nfs/dbraw/zinc/10/92/40/639109240.db2.gz OSJSXRGAEFLGBK-HTQZYQBOSA-N -1 0 237.259 0.446 20 0 BCADRM CCN(CC(=O)[O-])C(=O)CC1(O)CCC1 ZINC000908955527 639109838 /nfs/dbraw/zinc/10/98/38/639109838.db2.gz LPAJCZDLHKCJGQ-UHFFFAOYSA-N -1 0 215.249 0.225 20 0 BCADRM 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20 0 BCADRM Cc1cc(CCC(=O)N(C)[C@H](C)C(=O)[O-])no1 ZINC000908986512 639114758 /nfs/dbraw/zinc/11/47/58/639114758.db2.gz DPGSUXBRZVGQCJ-MRVPVSSYSA-N -1 0 240.259 0.847 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc2n(n1)CCC2 ZINC000908988481 639115222 /nfs/dbraw/zinc/11/52/22/639115222.db2.gz WNVUQMLBFUGVKT-ZETCQYMHSA-N -1 0 237.259 0.374 20 0 BCADRM CC[C@H](O)[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000908988146 639115241 /nfs/dbraw/zinc/11/52/41/639115241.db2.gz VBDGNTUJFJQVNG-CSMHCCOUSA-N -1 0 217.265 0.325 20 0 BCADRM C/C(=C\C(=O)N(C)[C@H](C)C(=O)[O-])c1cnccn1 ZINC000908991219 639115954 /nfs/dbraw/zinc/11/59/54/639115954.db2.gz ZUCYXYWSXCCTAG-BNICOGTQSA-N -1 0 249.270 0.811 20 0 BCADRM Cc1cc[nH]c1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000908989884 639116787 /nfs/dbraw/zinc/11/67/87/639116787.db2.gz ZCINVZBVNHGNIE-ZETCQYMHSA-N -1 0 210.233 0.868 20 0 BCADRM C[C@@H](O)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000909000759 639119171 /nfs/dbraw/zinc/11/91/71/639119171.db2.gz 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223.232 0.007 20 0 BCADRM C[C@@H](CNC(=O)C[C@@H]1CCCOC1)C(=O)[O-] ZINC000257633956 711719657 /nfs/dbraw/zinc/71/96/57/711719657.db2.gz LQEOIJLXVUTCCH-IUCAKERBSA-N -1 0 229.276 0.640 20 0 BCADRM CCc1cc(C(=O)N[C@@H](CC)C(=O)[O-])no1 ZINC000257633999 711719759 /nfs/dbraw/zinc/71/97/59/711719759.db2.gz MKPXGTLFOVQAMN-ZETCQYMHSA-N -1 0 226.232 0.830 20 0 BCADRM O=C([O-])[C@@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 ZINC000257674056 711725833 /nfs/dbraw/zinc/72/58/33/711725833.db2.gz HTFOUQDQRHBWBN-VHSXEESVSA-N -1 0 241.287 0.736 20 0 BCADRM CC/C(C)=C/C(=O)N[C@@](C)(COC)C(=O)[O-] ZINC000909365679 711728969 /nfs/dbraw/zinc/72/89/69/711728969.db2.gz SYZNMYJQVCTHID-IOCXFXADSA-N -1 0 229.276 0.949 20 0 BCADRM CC1(C(=O)[O-])CN(C(=O)c2ccc(F)cn2)C1 ZINC000399187692 711744572 /nfs/dbraw/zinc/74/45/72/711744572.db2.gz WDJMTZXNXJAHCK-UHFFFAOYSA-N -1 0 238.218 0.767 20 0 BCADRM CCCOCC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722465450 711757822 /nfs/dbraw/zinc/75/78/22/711757822.db2.gz USVJGRARFFGJPI-NXEZZACHSA-N 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229.276 0.735 20 0 BCADRM CO[C@@H](C)CNC(=O)CC1(C(=O)[O-])CCC1 ZINC000261593080 135233752 /nfs/dbraw/zinc/23/37/52/135233752.db2.gz WLHSPJHLCOVCSI-QMMMGPOBSA-N -1 0 229.276 0.783 20 0 BCADRM CC[C@@H]1CC[C@H](C(=O)N(C)[C@H](C)C(=O)[O-])O1 ZINC000261593411 135233824 /nfs/dbraw/zinc/23/38/24/135233824.db2.gz WUILXOCQDSGCIR-IWSPIJDZSA-N -1 0 229.276 0.876 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)CCOCC1CC1 ZINC000261594285 135234313 /nfs/dbraw/zinc/23/43/13/135234313.db2.gz XLHCTQOGEUIZBU-MRVPVSSYSA-N -1 0 229.276 0.735 20 0 BCADRM O=C([O-])[C@H](CC1CC1)NC(=O)[C@@H]1CCCOC1 ZINC000261546560 135238721 /nfs/dbraw/zinc/23/87/21/135238721.db2.gz GYVLIKJIGHATOE-ZJUUUORDSA-N -1 0 241.287 0.783 20 0 BCADRM Cc1nnc2ccc(NCCCC(=O)[O-])nn12 ZINC000261687632 135245985 /nfs/dbraw/zinc/24/59/85/135245985.db2.gz DTBGKMMGSVAKOC-UHFFFAOYSA-N -1 0 235.247 0.709 20 0 BCADRM COCC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000261827804 135256149 /nfs/dbraw/zinc/25/61/49/135256149.db2.gz AAFVYVROSBHWEU-GZMMTYOYSA-N -1 0 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C[C@@H](O)CN(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000304419712 229350926 /nfs/dbraw/zinc/35/09/26/229350926.db2.gz ZMUHNLNHPBOFHP-MRVPVSSYSA-N -1 0 246.307 0.510 20 0 BCADRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(F)cn1 ZINC000228563667 487675406 /nfs/dbraw/zinc/67/54/06/487675406.db2.gz LGPDZWAYLHRJKR-VIFPVBQESA-N -1 0 238.218 0.910 20 0 BCADRM CC(C)(C)c1cc(NCc2nnn[n-]2)ncn1 ZINC000310356480 487676836 /nfs/dbraw/zinc/67/68/36/487676836.db2.gz IJDTUYWPPWJVQU-UHFFFAOYSA-N -1 0 233.279 0.899 20 0 BCADRM O=C([O-])C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000653471980 487677906 /nfs/dbraw/zinc/67/79/06/487677906.db2.gz CHQZZGFHMTXWFH-DTWKUNHWSA-N -1 0 227.260 0.535 20 0 BCADRM COCC1(CNC(=O)C2(C(=O)[O-])CC2)CCC1 ZINC000383895754 487678954 /nfs/dbraw/zinc/67/89/54/487678954.db2.gz MRYBEVLONRKEEF-UHFFFAOYSA-N -1 0 241.287 0.784 20 0 BCADRM C[C@@H](NC(=O)C[C@H]1CCCO1)[C@@H](C)C(=O)[O-] ZINC000228579738 487681327 /nfs/dbraw/zinc/68/13/27/487681327.db2.gz HYQHBQJBGMMTPK-IWSPIJDZSA-N -1 0 229.276 0.781 20 0 BCADRM 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214.265 0.901 20 0 BCADRM C[C@@H](CNC(=O)N1CCC[C@@H](CO)C1)C(=O)[O-] ZINC000054336154 487722778 /nfs/dbraw/zinc/72/27/78/487722778.db2.gz KYIWROCSLILIQB-DTWKUNHWSA-N -1 0 244.291 0.121 20 0 BCADRM CCCCN(CCO)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000054336440 487723807 /nfs/dbraw/zinc/72/38/07/487723807.db2.gz QRXRTIFYFUHZSR-SECBINFHSA-N -1 0 246.307 0.511 20 0 BCADRM O=C([O-])[C@@H]1CN(C(=O)NCCC2CC2)CCO1 ZINC000088461568 487727862 /nfs/dbraw/zinc/72/78/62/487727862.db2.gz VBDOMRUHJSFNKT-VIFPVBQESA-N -1 0 242.275 0.282 20 0 BCADRM CCS(=O)(=O)[N-]C(=O)/C=C(/C)C1CC1 ZINC000732606662 584939048 /nfs/dbraw/zinc/93/90/48/584939048.db2.gz PPFPWDKMKZOXIR-SREVYHEPSA-N -1 0 217.290 0.809 20 0 BCADRM CC(=O)NCCCSC[C@H](C)C(=O)[O-] ZINC000736153235 584990950 /nfs/dbraw/zinc/99/09/50/584990950.db2.gz ZWXYNMDSIWDTQZ-ZETCQYMHSA-N -1 0 219.306 0.967 20 0 BCADRM CC(C)c1noc(=N[C@H]2C[C@@H](C(N)=O)C2)[n-]1 ZINC000651413142 487733436 /nfs/dbraw/zinc/73/34/36/487733436.db2.gz PTCKXSJQARBLAT-KNVOCYPGSA-N -1 0 224.264 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239.271 0.967 20 0 BCADRM COCCNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000082923523 487754957 /nfs/dbraw/zinc/75/49/57/487754957.db2.gz SRXBLBIMUSUSMY-RQJHMYQMSA-N -1 0 215.249 0.106 20 0 BCADRM CO[C@@H](C)CCNC(=O)NCCCCC(=O)[O-] ZINC000393820463 487756602 /nfs/dbraw/zinc/75/66/02/487756602.db2.gz QJIQUOZZBPABBY-VIFPVBQESA-N -1 0 246.307 0.966 20 0 BCADRM CC[C@@H](C)C(=O)[N-]S(=O)(=O)N(C)CC ZINC000744239917 585146463 /nfs/dbraw/zinc/14/64/63/585146463.db2.gz WJXIYVYAUKLKMN-SSDOTTSWSA-N -1 0 222.310 0.345 20 0 BCADRM CC[C@H](NC(=O)N[C@@H]1CC[C@H](OC)C1)C(=O)[O-] ZINC000234024520 487756907 /nfs/dbraw/zinc/75/69/07/487756907.db2.gz JPKRQKYIQPEPIW-VGMNWLOBSA-N -1 0 244.291 0.716 20 0 BCADRM CC[C@H](NC(=O)N[C@H]1CC[C@@H](OC)C1)C(=O)[O-] ZINC000234026647 487757962 /nfs/dbraw/zinc/75/79/62/487757962.db2.gz JPKRQKYIQPEPIW-YIZRAAEISA-N -1 0 244.291 0.716 20 0 BCADRM CC[C@H](O)CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000234079107 487759913 /nfs/dbraw/zinc/75/99/13/487759913.db2.gz 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ZINC000824606278 587278754 /nfs/dbraw/zinc/27/87/54/587278754.db2.gz OQSWHNJTABRJGZ-WRWORJQWSA-N -1 0 244.291 0.310 20 0 BCADRM C[C@H](CC(=O)N[C@@H]1C[C@H]1C)NC(=O)[O-] ZINC000824615778 587279329 /nfs/dbraw/zinc/27/93/29/587279329.db2.gz WJXPKZXNAVYSOU-FSDSQADBSA-N -1 0 200.238 0.557 20 0 BCADRM C[C@@H](CC(=O)N[C@@H](CCO)C1CC1)NC(=O)[O-] ZINC000824613685 587279356 /nfs/dbraw/zinc/27/93/56/587279356.db2.gz FJKBJYZGNMMBBD-CBAPKCEASA-N -1 0 244.291 0.310 20 0 BCADRM C[C@H](CC(=O)N[C@@H](C)c1nc[nH]n1)NC(=O)[O-] ZINC000824615658 587279377 /nfs/dbraw/zinc/27/93/77/587279377.db2.gz VOJAVRGKXOCHHN-RITPCOANSA-N -1 0 241.251 0.028 20 0 BCADRM C[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1O)NC(=O)[O-] ZINC000824620785 587279710 /nfs/dbraw/zinc/27/97/10/587279710.db2.gz AZOUBELRXZJMSW-HLTSFMKQSA-N -1 0 244.291 0.452 20 0 BCADRM C[C@@H](CC(=O)NCc1cc[nH]n1)NC(=O)[O-] ZINC000824656024 587281421 /nfs/dbraw/zinc/28/14/21/587281421.db2.gz OLTZTCSBKMVBKI-LURJTMIESA-N -1 0 226.236 0.072 20 0 BCADRM C[C@@H](CC(=O)NCc1ccc[nH]1)NC(=O)[O-] ZINC000824664848 587281745 /nfs/dbraw/zinc/28/17/45/587281745.db2.gz PDEDXUXWRWCTOS-ZETCQYMHSA-N -1 0 225.248 0.677 20 0 BCADRM C[C@H](CC(=O)NCc1cccn1C)NC(=O)[O-] ZINC000824664269 587281755 /nfs/dbraw/zinc/28/17/55/587281755.db2.gz JUEGGAFJGSBVEZ-MRVPVSSYSA-N -1 0 239.275 0.688 20 0 BCADRM C[C@@H](CC(=O)NO[C@H]1CCCCO1)NC(=O)[O-] ZINC000824679794 587282618 /nfs/dbraw/zinc/28/26/18/587282618.db2.gz NQRAUPSRYAJOSK-CBAPKCEASA-N -1 0 246.263 0.607 20 0 BCADRM C[C@H](CC(=O)Nc1c[nH]ccc1=O)NC(=O)[O-] ZINC000824711396 587283946 /nfs/dbraw/zinc/28/39/46/587283946.db2.gz WHASZJKUVJGEAG-ZCFIWIBFSA-N -1 0 239.231 0.360 20 0 BCADRM C[C@H](CC(=O)OCCCF)NC(=O)[O-] ZINC000824727386 587284579 /nfs/dbraw/zinc/28/45/79/587284579.db2.gz HHPCDPRBCGWLMW-ZCFIWIBFSA-N -1 0 207.201 0.935 20 0 BCADRM C[C@@H](CC(=O)OCc1cnn(C)c1)NC(=O)[O-] ZINC000824735362 587284831 /nfs/dbraw/zinc/28/48/31/587284831.db2.gz FBTMUQVNTRBKDO-ZETCQYMHSA-N -1 0 241.247 0.510 20 0 BCADRM C[C@H](CC(=O)OC[C@H]1CCCO1)NC(=O)[O-] ZINC000824727066 587285046 /nfs/dbraw/zinc/28/50/46/587285046.db2.gz CTBUQPVKDBVAEF-HTQZYQBOSA-N -1 0 231.248 0.755 20 0 BCADRM CN1CC[C@@](C)(C(=O)[N-]OCC2CCC2)C1=O ZINC000824742291 587285371 /nfs/dbraw/zinc/28/53/71/587285371.db2.gz ORWNSKLOIAZRMR-LBPRGKRZSA-N -1 0 240.303 0.703 20 0 BCADRM C[C@@H](CC(N)=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824755284 587286002 /nfs/dbraw/zinc/28/60/02/587286002.db2.gz YPPVWGRGOLVDHX-JGVFFNPUSA-N -1 0 214.265 0.888 20 0 BCADRM C[C@@H](C[C@@H]1CCOC1)NC(=O)CN(C)C(=O)[O-] ZINC000824770087 587286652 /nfs/dbraw/zinc/28/66/52/587286652.db2.gz ZUUPMLCVRVQWQI-IUCAKERBSA-N -1 0 244.291 0.528 20 0 BCADRM C[C@H](CCCO)NC(=O)CCCN(C)C(=O)[O-] ZINC000824775463 587286728 /nfs/dbraw/zinc/28/67/28/587286728.db2.gz BWYKHBQLPOWDHB-SECBINFHSA-N -1 0 246.307 0.654 20 0 BCADRM C[C@@H](CCCO)NC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000824776334 587286819 /nfs/dbraw/zinc/28/68/19/587286819.db2.gz LGTPYENOLHFFAG-IUCAKERBSA-N -1 0 246.307 0.510 20 0 BCADRM C[C@H](CCNC(=O)C1(C)CC1)NC(=O)[O-] ZINC000824786321 587287127 /nfs/dbraw/zinc/28/71/27/587287127.db2.gz LLVGNKHOJYVLGR-SSDOTTSWSA-N -1 0 214.265 0.949 20 0 BCADRM C[C@@H](CCCO)NC(=O)NCCCNC(=O)[O-] ZINC000824779423 587287148 /nfs/dbraw/zinc/28/71/48/587287148.db2.gz YLORXLDKPVVISD-QMMMGPOBSA-N -1 0 247.295 0.104 20 0 BCADRM C[C@H](CCNC(=O)[C@H]1CCCCO1)NC(=O)[O-] ZINC000824786578 587287152 /nfs/dbraw/zinc/28/71/52/587287152.db2.gz OCNIRXIXSXOWPU-RKDXNWHRSA-N -1 0 244.291 0.718 20 0 BCADRM C[C@@H](CCNC(=O)Cc1cc[nH]n1)NC(=O)[O-] ZINC000824785339 587287214 /nfs/dbraw/zinc/28/72/14/587287214.db2.gz FCMKSDGOBBHSEZ-ZETCQYMHSA-N -1 0 240.263 0.115 20 0 BCADRM CSc1nc(NC(=O)[C@H](O)C2CC2)n[nH]1 ZINC000824783785 587287321 /nfs/dbraw/zinc/28/73/21/587287321.db2.gz XRYGUNGZMNDXEQ-RXMQYKEDSA-N -1 0 228.277 0.236 20 0 BCADRM C[C@H](CCNC(=O)[C@@H]1CCSC1)NC(=O)[O-] ZINC000824786452 587287343 /nfs/dbraw/zinc/28/73/43/587287343.db2.gz MIWJHVAJVKJTJD-HTQZYQBOSA-N -1 0 246.332 0.902 20 0 BCADRM C[C@@H](CCO)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000824801827 587288214 /nfs/dbraw/zinc/28/82/14/587288214.db2.gz GBRHKLJTXLMUHH-ZETCQYMHSA-N -1 0 232.280 0.167 20 0 BCADRM C[C@H](CCO)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000824801825 587288265 /nfs/dbraw/zinc/28/82/65/587288265.db2.gz GBRHKLJTXLMUHH-SSDOTTSWSA-N -1 0 232.280 0.167 20 0 BCADRM C[C@@H](CCO)NC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000824809188 587288286 /nfs/dbraw/zinc/28/82/86/587288286.db2.gz FGVGBNUZQHLYAD-IUCAKERBSA-N -1 0 244.291 0.406 20 0 BCADRM C[C@H](CCO)CNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000824803641 587288291 /nfs/dbraw/zinc/28/82/91/587288291.db2.gz SPGUIWIAQPOFCG-BDAKNGLRSA-N -1 0 246.307 0.367 20 0 BCADRM C[C@@H](CCO)NC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824808924 587288349 /nfs/dbraw/zinc/28/83/49/587288349.db2.gz BWAFWBKKTXRXPL-IUCAKERBSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@@H](CCNc1cccnn1)NC(=O)[O-] ZINC000824802205 587288399 /nfs/dbraw/zinc/28/83/99/587288399.db2.gz JDWRYPZXKRMSAA-ZETCQYMHSA-N -1 0 210.237 0.935 20 0 BCADRM 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0.367 20 0 BCADRM C[C@@H](O)CCNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000824862517 587291181 /nfs/dbraw/zinc/29/11/81/587291181.db2.gz MOVYRBDFVRJQJV-JGVFFNPUSA-N -1 0 232.280 0.119 20 0 BCADRM C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1cnn(C)c1 ZINC000824879797 587291373 /nfs/dbraw/zinc/29/13/73/587291373.db2.gz BECDJXAITHDGTF-ZETCQYMHSA-N -1 0 240.263 0.605 20 0 BCADRM C[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC000824961622 587294831 /nfs/dbraw/zinc/29/48/31/587294831.db2.gz DUNFHEUNKQYEEF-SSDOTTSWSA-N -1 0 231.263 0.503 20 0 BCADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Cc1cc[nH]n1 ZINC000824960955 587295113 /nfs/dbraw/zinc/29/51/13/587295113.db2.gz XCDBLZUIZKMFBA-ZETCQYMHSA-N -1 0 240.263 0.067 20 0 BCADRM C[C@H](CO)[C@H](C)NC(=O)CCCN(C)C(=O)[O-] ZINC000824979907 587296567 /nfs/dbraw/zinc/29/65/67/587296567.db2.gz HHXZRDFQYHYUSI-BDAKNGLRSA-N -1 0 246.307 0.510 20 0 BCADRM C[C@H](COC(=O)C1=COCCC1)NC(=O)[O-] ZINC000824980204 587296596 /nfs/dbraw/zinc/29/65/96/587296596.db2.gz MJYPSVZDXLXBCX-SSDOTTSWSA-N -1 0 229.232 0.880 20 0 BCADRM C[C@@H](CO)NC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000824980876 587296851 /nfs/dbraw/zinc/29/68/51/587296851.db2.gz SAHGMZJQXBYJKM-YUMQZZPRSA-N -1 0 230.264 0.016 20 0 BCADRM C[C@@](CO)(NC(=O)CCCNC(=O)[O-])C1CC1 ZINC000824981053 587297006 /nfs/dbraw/zinc/29/70/06/587297006.db2.gz UDANAWGHZQVJAN-NSHDSACASA-N -1 0 244.291 0.311 20 0 BCADRM C[C@H](COC(=O)[C@H]1CC[C@H](C)O1)NC(=O)[O-] ZINC000824986755 587297105 /nfs/dbraw/zinc/29/71/05/587297105.db2.gz IWAYMBMWPXQMIT-GJMOJQLCSA-N -1 0 231.248 0.753 20 0 BCADRM C[C@H](COC(=O)C[C@H]1CCCO1)NC(=O)[O-] ZINC000824988908 587297120 /nfs/dbraw/zinc/29/71/20/587297120.db2.gz VIPMFPUICJTWHC-HTQZYQBOSA-N -1 0 231.248 0.755 20 0 BCADRM C[C@H](COC(=O)[C@H]1CCSC1)NC(=O)[O-] ZINC000824986456 587297228 /nfs/dbraw/zinc/29/72/28/587297228.db2.gz GVBMQSWIZFYMGU-RQJHMYQMSA-N -1 0 233.289 0.939 20 0 BCADRM C[C@H](COC(=O)[C@H]1CC[C@@H](C)O1)NC(=O)[O-] ZINC000824986753 587297293 /nfs/dbraw/zinc/29/72/93/587297293.db2.gz 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/nfs/dbraw/zinc/34/66/65/587346665.db2.gz VWHOZODVIXNDNE-JGVFFNPUSA-N -1 0 214.265 0.901 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](C)[C@H]1C ZINC000825944213 587346835 /nfs/dbraw/zinc/34/68/35/587346835.db2.gz LKJBQDVHYFAOTF-XLPZGREQSA-N -1 0 214.265 0.899 20 0 BCADRM C[C@H]1CN(C(=O)C2(NC(=O)[O-])CC2)[C@@H](C)CO1 ZINC000825967491 587347484 /nfs/dbraw/zinc/34/74/84/587347484.db2.gz BMHOTZNIRRKGAM-YUMQZZPRSA-N -1 0 242.275 0.422 20 0 BCADRM C[C@@H]1CN(C(=O)C2(C)CC2)CCN1C(=O)[O-] ZINC000825970544 587347592 /nfs/dbraw/zinc/34/75/92/587347592.db2.gz VDPTTYOHQNSVEB-MRVPVSSYSA-N -1 0 226.276 0.997 20 0 BCADRM C[C@H]1CN(C(=O)CN(C)C(=O)[O-])C[C@@H]1C ZINC000825983801 587347659 /nfs/dbraw/zinc/34/76/59/587347659.db2.gz OZKWKHLFUYLSSF-YUMQZZPRSA-N -1 0 214.265 0.711 20 0 BCADRM C[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@@H](C)S1 ZINC000825982707 587347722 /nfs/dbraw/zinc/34/77/22/587347722.db2.gz CDEJDGLMCYCGKF-RNFRBKRXSA-N -1 0 232.305 0.606 20 0 BCADRM C[C@@H]1CN(C(=O)NC2CCC2)CCN1C(=O)[O-] ZINC000825988210 587347922 /nfs/dbraw/zinc/34/79/22/587347922.db2.gz ITFCSDGPIHIHKA-MRVPVSSYSA-N -1 0 241.291 0.933 20 0 BCADRM C[C@H]1CN(C(=O)COCCNC(=O)[O-])C[C@@H]1C ZINC000825988571 587347995 /nfs/dbraw/zinc/34/79/95/587347995.db2.gz LUACCHNKUCQCTB-IUCAKERBSA-N -1 0 244.291 0.385 20 0 BCADRM C[C@@H]1CN(C(=O)NCCCNC(=O)[O-])C[C@H]1C ZINC000825999801 587348257 /nfs/dbraw/zinc/34/82/57/587348257.db2.gz BUHLCOCXNKIEFT-RKDXNWHRSA-N -1 0 243.307 0.942 20 0 BCADRM C[C@H]1CN(C(=O)NCCNC(=O)[O-])C[C@H]1C ZINC000826000028 587348278 /nfs/dbraw/zinc/34/82/78/587348278.db2.gz FBCILCWEDQGQOR-OCAPTIKFSA-N -1 0 229.280 0.551 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000826035083 587349184 /nfs/dbraw/zinc/34/91/84/587349184.db2.gz OQMHKXDXYBXIBG-FXQIFTODSA-N -1 0 246.332 0.995 20 0 BCADRM C[C@H]1CN(c2cccnn2)CC[C@@H]1NC(=O)[O-] ZINC000826083155 587350655 /nfs/dbraw/zinc/35/06/55/587350655.db2.gz YQRBDBKIZHDDCZ-IUCAKERBSA-N -1 0 236.275 0.959 20 0 BCADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(N)=O ZINC000826125275 587350813 /nfs/dbraw/zinc/35/08/13/587350813.db2.gz HBCINNIXPMNQOE-RITPCOANSA-N -1 0 231.252 0.158 20 0 BCADRM C[C@H]1OCCN(C(=O)CCCNC(=O)[O-])[C@H]1C ZINC000826133617 587351193 /nfs/dbraw/zinc/35/11/93/587351193.db2.gz PIRKQLSXUMAPDF-DTWKUNHWSA-N -1 0 244.291 0.670 20 0 BCADRM Cc1cccnc1Cn1cnc(-c2nnn[n-]2)n1 ZINC000826308807 587352214 /nfs/dbraw/zinc/35/22/14/587352214.db2.gz QPEPULIIKYWITK-UHFFFAOYSA-N -1 0 242.246 0.210 20 0 BCADRM CC(C)(C)c1noc(OC[C@H](O)CC(=O)[O-])n1 ZINC000826528274 587354143 /nfs/dbraw/zinc/35/41/43/587354143.db2.gz SSCAASOWBIABRN-ZCFIWIBFSA-N -1 0 244.247 0.582 20 0 BCADRM CCC(CC)(CNC(=O)NCCO)NC(=O)[O-] ZINC000826533469 587354164 /nfs/dbraw/zinc/35/41/64/587354164.db2.gz QWWLJMXQZDJMQZ-UHFFFAOYSA-N -1 0 247.295 0.104 20 0 BCADRM CC[C@H]1C[C@H](C)CN1C(=O)c1cc(=O)[nH][n-]1 ZINC000826560358 587354816 /nfs/dbraw/zinc/35/48/16/587354816.db2.gz YLPDPJBFLLFGMM-YUMQZZPRSA-N -1 0 223.276 0.509 20 0 BCADRM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(=O)[nH][n-]1 ZINC000826560355 587354979 /nfs/dbraw/zinc/35/49/79/587354979.db2.gz YLPDPJBFLLFGMM-HTQZYQBOSA-N -1 0 223.276 0.509 20 0 BCADRM CC[C@H](COC)NC(=O)C(C)(C)CNC(=O)[O-] ZINC000826586858 587355737 /nfs/dbraw/zinc/35/57/37/587355737.db2.gz IXIFYAVJSUBDGP-MRVPVSSYSA-N -1 0 246.307 0.821 20 0 BCADRM CC[C@H](COC)NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000826586730 587355855 /nfs/dbraw/zinc/35/58/55/587355855.db2.gz GMSNFILHBCOKGA-HTQZYQBOSA-N -1 0 232.280 0.574 20 0 BCADRM CC[C@H](NC(=O)C(C)(C)NC(=O)[O-])C(=O)OC ZINC000826592965 587355982 /nfs/dbraw/zinc/35/59/82/587355982.db2.gz OUJHRIXODCCYLW-LURJTMIESA-N -1 0 246.263 0.100 20 0 BCADRM CC[C@H](O)CN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826626128 587356964 /nfs/dbraw/zinc/35/69/64/587356964.db2.gz RFFPMUKIZVYYST-KXUCPTDWSA-N -1 0 246.307 0.114 20 0 BCADRM CC[C@@H](O)CCNC(=O)CN(CC)C(=O)[O-] ZINC000826626722 587357056 /nfs/dbraw/zinc/35/70/56/587357056.db2.gz XVORMPAFXHJNHH-MRVPVSSYSA-N -1 0 232.280 0.264 20 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CCC[C@@H](OC)C(=O)[N-]OCCOC ZINC000826665605 587358690 /nfs/dbraw/zinc/35/86/90/587358690.db2.gz WEGHNCYXALFNAX-MRVPVSSYSA-N -1 0 205.254 0.496 20 0 BCADRM CC/C=C\COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826699549 587359575 /nfs/dbraw/zinc/35/95/75/587359575.db2.gz LXEJRFPXIPAANK-TYRPZCRBSA-N -1 0 243.259 0.875 20 0 BCADRM CCCC(=O)NCC(=O)OC[C@@H](C)NC(=O)[O-] ZINC000826705593 587359670 /nfs/dbraw/zinc/35/96/70/587359670.db2.gz DPJHGSBTXOXOGC-SSDOTTSWSA-N -1 0 246.263 0.102 20 0 BCADRM CCC[C@@](C)(NC(=O)[O-])C(=O)NCC(C)(C)O ZINC000826721542 587359953 /nfs/dbraw/zinc/35/99/53/587359953.db2.gz SNKPTOAVJWOIGF-LLVKDONJSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@@](C)(NC(=O)[O-])C(=O)NCCCO ZINC000826719742 587359979 /nfs/dbraw/zinc/35/99/79/587359979.db2.gz AZBZTQDJKLJWQV-SNVBAGLBSA-N -1 0 232.280 0.311 20 0 BCADRM CCC[C@@](C)(O)CNC(=O)[C@H](CC)NC(=O)[O-] ZINC000826727712 587360196 /nfs/dbraw/zinc/36/01/96/587360196.db2.gz HDDAFUQBSMZOHT-GZMMTYOYSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@@](C)(O)CNC(=O)[C@H](C)NC(=O)[O-] ZINC000826727506 587360316 /nfs/dbraw/zinc/36/03/16/587360316.db2.gz FZLWAJAKLUVVFI-OIBJUYFYSA-N -1 0 232.280 0.310 20 0 BCADRM CCC[C@H](O)CNC(=O)[C@H](CC)NC(=O)[O-] ZINC000826763263 587360381 /nfs/dbraw/zinc/36/03/81/587360381.db2.gz AJLHZYXADSFCSK-YUMQZZPRSA-N -1 0 232.280 0.310 20 0 BCADRM CCC[C@](C)(O)C(=O)N(C)CCCNC(=O)[O-] ZINC000826730515 587360547 /nfs/dbraw/zinc/36/05/47/587360547.db2.gz ZELPNXYVCGRVII-NSHDSACASA-N -1 0 246.307 0.654 20 0 BCADRM CCC[C@@H](CCO)CNC(=O)CNC(=O)[O-] ZINC000826736699 587360636 /nfs/dbraw/zinc/36/06/36/587360636.db2.gz VOBRGPDQMORKHK-QMMMGPOBSA-N -1 0 232.280 0.169 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NC[C@@H](O)C(C)C ZINC000826749725 587361005 /nfs/dbraw/zinc/36/10/05/587361005.db2.gz AHQJQFRKNXAUHX-DTWKUNHWSA-N -1 0 246.307 0.556 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NC[C@@](C)(O)CC ZINC000826752416 587361082 /nfs/dbraw/zinc/36/10/82/587361082.db2.gz UQSHXIVAUIDJSV-KWQFWETISA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NCC[C@H](O)CC ZINC000826751642 587361196 /nfs/dbraw/zinc/36/11/96/587361196.db2.gz PDUUNLORKJJUKH-BDAKNGLRSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NCC(C)(C)CO ZINC000826750478 587361264 /nfs/dbraw/zinc/36/12/64/587361264.db2.gz JFJCFMKBGJRIEF-QMMMGPOBSA-N -1 0 246.307 0.557 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NC[C@@H](O)CCC ZINC000826764925 587361505 /nfs/dbraw/zinc/36/15/05/587361505.db2.gz MMVTYBDHQPCDNP-DTWKUNHWSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](C)NC(=O)[O-] ZINC000826769364 587361517 /nfs/dbraw/zinc/36/15/17/587361517.db2.gz QWLGHZGCUDSQKV-PRJMDXOYSA-N -1 0 214.265 0.947 20 0 BCADRM CCC[C@@H](O)CNC(=O)CC1CN(C(=O)[O-])C1 ZINC000826766055 587361619 /nfs/dbraw/zinc/36/16/19/587361619.db2.gz YPQDIBABYMZGON-SECBINFHSA-N -1 0 244.291 0.264 20 0 BCADRM CCC[C@@H](O)CNC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000826766014 587361645 /nfs/dbraw/zinc/36/16/45/587361645.db2.gz XPLZJEWUPVWARV-RKDXNWHRSA-N -1 0 246.307 0.556 20 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CCCN(CC(C)(C)O)C(=O)[C@H](C)NC(=O)[O-] ZINC000826902416 587364854 /nfs/dbraw/zinc/36/48/54/587364854.db2.gz BOUOTSSRRBJUQD-QMMMGPOBSA-N -1 0 246.307 0.652 20 0 BCADRM CCCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000826925880 587365943 /nfs/dbraw/zinc/36/59/43/587365943.db2.gz NXLZHLIWGFVUPB-VIFPVBQESA-N -1 0 244.291 0.672 20 0 BCADRM CC(C)N(CC(F)F)Cn1cc(C(=O)[O-])nn1 ZINC000826940775 587366375 /nfs/dbraw/zinc/36/63/75/587366375.db2.gz WUCOTJMBMATMGP-UHFFFAOYSA-N -1 0 248.233 0.909 20 0 BCADRM CC(C)NC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000826976108 587366553 /nfs/dbraw/zinc/36/65/53/587366553.db2.gz KHSYRROBLCUKHL-SECBINFHSA-N -1 0 218.228 0.603 20 0 BCADRM CC(C)NC(=S)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000826980199 587367061 /nfs/dbraw/zinc/36/70/61/587367061.db2.gz FMJPSROHBSJKKK-YUMQZZPRSA-N -1 0 230.333 0.922 20 0 BCADRM CC(C)NC(=O)CCNC(=O)[C@@H](C)CC(=O)[O-] ZINC000826970833 587367133 /nfs/dbraw/zinc/36/71/33/587367133.db2.gz DYKKNYCQILCQQP-QMMMGPOBSA-N -1 0 244.291 0.128 20 0 BCADRM 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CCOC(=O)[C@H](C(=O)[N-]OC)C(C)C ZINC000873945984 590080374 /nfs/dbraw/zinc/08/03/74/590080374.db2.gz DYORLXJVEAOLHL-ZETCQYMHSA-N -1 0 203.238 0.499 20 0 BCADRM O=C([O-])[C@@H]1CCCN1C(=O)CCn1cccn1 ZINC000020258756 590093893 /nfs/dbraw/zinc/09/38/93/590093893.db2.gz CGCHUFFUQGGTJN-VIFPVBQESA-N -1 0 237.259 0.349 20 0 BCADRM CS(=O)(=O)c1ccc(NCCC(=O)[O-])cc1 ZINC000020376587 590105352 /nfs/dbraw/zinc/10/53/52/590105352.db2.gz VPLWOTVUJHNUBV-UHFFFAOYSA-N -1 0 243.284 0.977 20 0 BCADRM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874400376 590108051 /nfs/dbraw/zinc/10/80/51/590108051.db2.gz OPJGRZFLKMNSAQ-ZLYVCXLSSA-N -1 0 238.287 0.947 20 0 BCADRM C[C@H]1C[C@@H](NN[C@H]2C[C@@H](C(=O)[O-])C2)CO1 ZINC000874405671 590108144 /nfs/dbraw/zinc/10/81/44/590108144.db2.gz RYFXWFLYCCAZSG-RBXMUDONSA-N -1 0 214.265 0.121 20 0 BCADRM C[C@H]1C[C@H](NN[C@H]2C[C@H](C(=O)[O-])C2)CO1 ZINC000874405665 590108150 /nfs/dbraw/zinc/10/81/50/590108150.db2.gz RYFXWFLYCCAZSG-JBDRJPRFSA-N -1 0 214.265 0.121 20 0 BCADRM CC[C@H](O)CCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874414790 590108290 /nfs/dbraw/zinc/10/82/90/590108290.db2.gz DAVXOPBYZWYXIQ-YIZRAAEISA-N -1 0 244.291 0.310 20 0 BCADRM CC[C@@H](O)CCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874414789 590108454 /nfs/dbraw/zinc/10/84/54/590108454.db2.gz DAVXOPBYZWYXIQ-HRDYMLBCSA-N -1 0 244.291 0.310 20 0 BCADRM C[C@H]1C[C@H](NN2CCC[C@@H](C(=O)[O-])C2)CO1 ZINC000874405071 590108598 /nfs/dbraw/zinc/10/85/98/590108598.db2.gz NCZQPOZNDBQQOT-AEJSXWLSSA-N -1 0 228.292 0.465 20 0 BCADRM CN(CCF)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874418091 590108695 /nfs/dbraw/zinc/10/86/95/590108695.db2.gz YJDQLQJBDVGHQN-KNVOCYPGSA-N -1 0 218.228 0.461 20 0 BCADRM O=C(NCCCCCO)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874416123 590108963 /nfs/dbraw/zinc/10/89/63/590108963.db2.gz ZTSKFJXSEUUPGP-DTORHVGOSA-N -1 0 244.291 0.311 20 0 BCADRM CC(C)(CO)CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874415604 590109214 /nfs/dbraw/zinc/10/92/14/590109214.db2.gz 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CO[C@H](C)CC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739795155 602587720 /nfs/dbraw/zinc/58/77/20/602587720.db2.gz GMEVFAQSRQXSAH-BDAKNGLRSA-N -1 0 244.291 0.670 20 0 BCADRM O=C([O-])N1CCC[C@H]1CNC(=O)N1CCCC1 ZINC000740416324 602595478 /nfs/dbraw/zinc/59/54/78/602595478.db2.gz IJVGLDSJONVCRX-VIFPVBQESA-N -1 0 241.291 0.934 20 0 BCADRM C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000739081428 602599894 /nfs/dbraw/zinc/59/98/94/602599894.db2.gz IRUHGAGBDSVURI-HLTSFMKQSA-N -1 0 241.291 0.836 20 0 BCADRM COCCCNC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000739808359 602611036 /nfs/dbraw/zinc/61/10/36/602611036.db2.gz SODDKJJLMOXUOA-MRVPVSSYSA-N -1 0 247.295 0.320 20 0 BCADRM NC(=O)N[C@@H](CNC(=O)[O-])C1CCCCC1 ZINC000740331104 602611502 /nfs/dbraw/zinc/61/15/02/602611502.db2.gz DLIYKMMSZVVGTO-QMMMGPOBSA-N -1 0 229.280 0.871 20 0 BCADRM C[C@@H]1CCN1C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739112491 602617988 /nfs/dbraw/zinc/61/79/88/602617988.db2.gz FIAVDWOTYKLJJB-BDAKNGLRSA-N -1 0 241.291 0.933 20 0 BCADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NC[C@@H]1C[C@H]1C ZINC000739082949 602618551 /nfs/dbraw/zinc/61/85/51/602618551.db2.gz NEBVTJBEKWUSLH-VGMNWLOBSA-N -1 0 243.307 0.940 20 0 BCADRM CN(CC(=O)OC[C@H]1CCCCO1)C(=O)[O-] ZINC000739630593 602622834 /nfs/dbraw/zinc/62/28/34/602622834.db2.gz GFTNAFGIFNYJEN-MRVPVSSYSA-N -1 0 231.248 0.709 20 0 BCADRM C[C@H]1CCN1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739112673 602633022 /nfs/dbraw/zinc/63/30/22/602633022.db2.gz GKKRVKZNMUOYHO-JGVFFNPUSA-N -1 0 227.264 0.543 20 0 BCADRM O=C([O-])N1CC[C@@H](NC(=O)N2CCC2)C1 ZINC000740507874 602633651 /nfs/dbraw/zinc/63/36/51/602633651.db2.gz QZQLVQWHPYOLCE-SSDOTTSWSA-N -1 0 213.237 0.154 20 0 BCADRM C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739113476 602635446 /nfs/dbraw/zinc/63/54/46/602635446.db2.gz QEWSIHXYLARXSZ-RKDXNWHRSA-N -1 0 241.291 0.790 20 0 BCADRM CCN(CCNC(=O)N1CCC1)C(=O)[O-] ZINC000739428006 602635697 /nfs/dbraw/zinc/63/56/97/602635697.db2.gz YNHPGQJSACCLTE-UHFFFAOYSA-N -1 0 215.253 0.402 20 0 BCADRM O=C([O-])N1CC[C@@H](NC(=O)NC2CCC2)C1 ZINC000740393768 602637281 /nfs/dbraw/zinc/63/72/81/602637281.db2.gz RCAYGTMWRDSSLB-MRVPVSSYSA-N -1 0 227.264 0.590 20 0 BCADRM Cc1ncccc1C(=O)NCCNC(=O)[O-] ZINC000740238098 602638142 /nfs/dbraw/zinc/63/81/42/602638142.db2.gz VZISLAYUBTUYCD-UHFFFAOYSA-N -1 0 223.232 0.387 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)c1cccnc1 ZINC000738996323 602640819 /nfs/dbraw/zinc/64/08/19/602640819.db2.gz YLFPBJPCLGWFLX-JGVFFNPUSA-N -1 0 237.259 0.915 20 0 BCADRM CCN(CCNC(=O)NCC(C)(C)O)C(=O)[O-] ZINC000739430834 602657017 /nfs/dbraw/zinc/65/70/17/602657017.db2.gz JCFIVISFWWIPIM-UHFFFAOYSA-N -1 0 247.295 0.056 20 0 BCADRM CC1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739114199 602657835 /nfs/dbraw/zinc/65/78/35/602657835.db2.gz UYLKZTPZQGYVNK-UHFFFAOYSA-N -1 0 244.291 0.529 20 0 BCADRM C[C@H]1C[C@H]1CNC(=O)COCCNC(=O)[O-] ZINC000739084510 602660937 /nfs/dbraw/zinc/66/09/37/602660937.db2.gz PXKVPPKULQTVQH-YUMQZZPRSA-N -1 0 230.264 0.043 20 0 BCADRM CN(CCOC(=O)C1=COCCO1)C(=O)[O-] ZINC000739701123 602661694 /nfs/dbraw/zinc/66/16/94/602661694.db2.gz LEJPTVQVVOLUQQ-UHFFFAOYSA-N -1 0 231.204 0.028 20 0 BCADRM CC[C@H](NC(=O)COCCNC(=O)[O-])C(C)C ZINC000739263281 602663056 /nfs/dbraw/zinc/66/30/56/602663056.db2.gz OEHQHVPVMCLBMM-VIFPVBQESA-N -1 0 246.307 0.821 20 0 BCADRM CCCN(C(=O)COCCNC(=O)[O-])C1CC1 ZINC000739345487 602666003 /nfs/dbraw/zinc/66/60/03/602666003.db2.gz SVMKHWCSVQTVKM-UHFFFAOYSA-N -1 0 244.291 0.672 20 0 BCADRM NC(=O)CC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739156330 602670835 /nfs/dbraw/zinc/67/08/35/602670835.db2.gz ABZZZKVYWSPSSY-ZETCQYMHSA-N -1 0 200.238 0.642 20 0 BCADRM O=C([O-])NCCOCC(=O)OCc1ccoc1 ZINC000740666755 602677063 /nfs/dbraw/zinc/67/70/63/602677063.db2.gz YISIRQJMWKTJKB-UHFFFAOYSA-N -1 0 243.215 0.607 20 0 BCADRM O=C([O-])NCC(=O)OCC1CCOCC1 ZINC000739936539 602677252 /nfs/dbraw/zinc/67/72/52/602677252.db2.gz PARXARZPKNPXIA-UHFFFAOYSA-N -1 0 217.221 0.224 20 0 BCADRM CSC[C@H](C)C(=O)NCCCNC(=O)[O-] ZINC000739999006 602687012 /nfs/dbraw/zinc/68/70/12/602687012.db2.gz NBLXQSJNHPMHPF-ZETCQYMHSA-N -1 0 234.321 0.759 20 0 BCADRM CNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739748295 602690775 /nfs/dbraw/zinc/69/07/75/602690775.db2.gz JZUHSTJPXHGVKH-SSDOTTSWSA-N -1 0 215.253 0.305 20 0 BCADRM CCNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000739463058 602690820 /nfs/dbraw/zinc/69/08/20/602690820.db2.gz MIJYSBUDCZAPDX-QMMMGPOBSA-N -1 0 229.280 0.696 20 0 BCADRM Cc1n[nH]cc1C(=O)NC(C)(C)CNC(=O)[O-] ZINC000740031515 602711885 /nfs/dbraw/zinc/71/18/85/602711885.db2.gz NBHLBQQNZKBLAY-UHFFFAOYSA-N -1 0 240.263 0.494 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)O[C@H]1C(=O)OCC1(C)C ZINC000738994620 602712051 /nfs/dbraw/zinc/71/20/51/602712051.db2.gz KWOCBBCMZBZGBZ-WDSKDSINSA-N -1 0 245.231 0.137 20 0 BCADRM CCOCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739490774 602714524 /nfs/dbraw/zinc/71/45/24/602714524.db2.gz PXSAIESQGRDMJP-VIFPVBQESA-N -1 0 244.291 0.624 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CC1(C)C ZINC000738998603 602717829 /nfs/dbraw/zinc/71/78/29/602717829.db2.gz WLYWJZXNTJPZAQ-BQBZGAKWSA-N -1 0 214.265 0.805 20 0 BCADRM O=C([O-])N1CC[C@@H](CCNC(=O)N2CCC2)C1 ZINC000740498800 602719261 /nfs/dbraw/zinc/71/92/61/602719261.db2.gz YWBJOCBEGCWJOY-SECBINFHSA-N -1 0 241.291 0.792 20 0 BCADRM CC[C@@H](OC)C(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000739277021 602720093 /nfs/dbraw/zinc/72/00/93/602720093.db2.gz IMPKWZYBZXEMPE-RKDXNWHRSA-N -1 0 244.291 0.622 20 0 BCADRM COC[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739800115 602721375 /nfs/dbraw/zinc/72/13/75/602721375.db2.gz CNBUOEKFZWLZHF-IUCAKERBSA-N -1 0 244.291 0.480 20 0 BCADRM COCCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739805752 602721413 /nfs/dbraw/zinc/72/14/13/602721413.db2.gz NOWVQYXAGFLHBE-VIFPVBQESA-N -1 0 244.291 0.624 20 0 BCADRM CNC(=S)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739750047 602725220 /nfs/dbraw/zinc/72/52/20/602725220.db2.gz LHQGATWXQSZNBE-ZETCQYMHSA-N -1 0 245.348 0.859 20 0 BCADRM CCN(CCNC(=O)c1cc[nH]c1)C(=O)[O-] ZINC000739436138 602725827 /nfs/dbraw/zinc/72/58/27/602725827.db2.gz ZKYWXDOTQSUHML-UHFFFAOYSA-N -1 0 225.248 0.744 20 0 BCADRM CCCCN(CCOC)C(=O)CN(C)C(=O)[O-] ZINC000736994175 602727452 /nfs/dbraw/zinc/72/74/52/602727452.db2.gz OMYNBFNZCIVNFZ-UHFFFAOYSA-N -1 0 246.307 0.871 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)N(C)c1nccs1 ZINC000738980121 602727999 /nfs/dbraw/zinc/72/79/99/602727999.db2.gz QXJDQITYGAQSFU-RXMQYKEDSA-N -1 0 229.261 0.762 20 0 BCADRM CCN(C)C(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000739381544 602731658 /nfs/dbraw/zinc/73/16/58/602731658.db2.gz UHWAQPAGELHIJH-QMMMGPOBSA-N -1 0 214.265 0.997 20 0 BCADRM Cc1nnc2ccc(NCCNC(=O)[O-])nn12 ZINC000740253750 602734381 /nfs/dbraw/zinc/73/43/81/602734381.db2.gz VFHNUZHSQHLBOI-UHFFFAOYSA-N -1 0 236.235 0.112 20 0 BCADRM C[C@H]1CN(C(=O)[O-])CCN1Cc1cnn(C)c1 ZINC000739157125 602736690 /nfs/dbraw/zinc/73/66/90/602736690.db2.gz UBSCLDJTDYAJDZ-VIFPVBQESA-N -1 0 238.291 0.604 20 0 BCADRM Cc1nc(CN2CCN(C(=O)[O-])C[C@H]2C)no1 ZINC000740218056 602740974 /nfs/dbraw/zinc/74/09/74/602740974.db2.gz GEECGBNEBMULFS-SSDOTTSWSA-N -1 0 240.263 0.562 20 0 BCADRM CC(C)NC(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000738856913 602744274 /nfs/dbraw/zinc/74/42/74/602744274.db2.gz KAUQQOVHILFEJC-MRVPVSSYSA-N -1 0 229.280 0.789 20 0 BCADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC1CC1 ZINC000739154999 602744710 /nfs/dbraw/zinc/74/47/10/602744710.db2.gz RDQHKSLJMJTBSH-SSDOTTSWSA-N -1 0 227.264 0.543 20 0 BCADRM O=C([O-])N[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000740587370 602744929 /nfs/dbraw/zinc/74/49/29/602744929.db2.gz RNTMSYFKFMYTOB-RKDXNWHRSA-N -1 0 242.275 0.282 20 0 BCADRM O=C([O-])N[C@@H]1CCN(C(=O)CC2CC2)C1 ZINC000740586004 602749854 /nfs/dbraw/zinc/74/98/54/602749854.db2.gz MCEJTZQNZXXGMH-MRVPVSSYSA-N -1 0 212.249 0.655 20 0 BCADRM O=C([O-])NCCC(=O)OCC(=O)C1CC1 ZINC000738655765 602750691 /nfs/dbraw/zinc/75/06/91/602750691.db2.gz NNIIYGSMJREQCI-UHFFFAOYSA-N -1 0 215.205 0.166 20 0 BCADRM CC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000738510554 602753059 /nfs/dbraw/zinc/75/30/59/602753059.db2.gz AKWWERCZZZTZCN-KNVOCYPGSA-N -1 0 200.238 0.606 20 0 BCADRM CSCC(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000740000664 602759526 /nfs/dbraw/zinc/75/95/26/602759526.db2.gz NOGLRLRLWBPUKC-YUMQZZPRSA-N -1 0 246.332 0.949 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)NCC(=O)OC(C)(C)C ZINC000738994840 602766676 /nfs/dbraw/zinc/76/66/76/602766676.db2.gz NAEIGLOLGIAHSY-LURJTMIESA-N -1 0 246.263 0.100 20 0 BCADRM C[C@@H]1CN(Cc2ncc[nH]2)CC[C@H]1NC(=O)[O-] ZINC000739187966 602783106 /nfs/dbraw/zinc/78/31/06/602783106.db2.gz KYOPTCXRGGCYQQ-RKDXNWHRSA-N -1 0 238.291 0.888 20 0 BCADRM C[C@@H]1CN(Cc2ncc[nH]2)CC[C@@H]1NC(=O)[O-] ZINC000739187961 602783236 /nfs/dbraw/zinc/78/32/36/602783236.db2.gz KYOPTCXRGGCYQQ-BDAKNGLRSA-N -1 0 238.291 0.888 20 0 BCADRM N#CCNC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000146184717 602784764 /nfs/dbraw/zinc/78/47/64/602784764.db2.gz LIJZHZNFIOMOGT-SNVBAGLBSA-N -1 0 247.254 0.678 20 0 BCADRM CC(C)NC(=O)NC[C@H](NC(=O)[O-])C(C)C ZINC000738858566 602793311 /nfs/dbraw/zinc/79/33/11/602793311.db2.gz YNUDQRNEFNZDSU-QMMMGPOBSA-N -1 0 231.296 0.986 20 0 BCADRM CCCNC(=O)NC[C@H](NC(=O)[O-])C(C)C ZINC000739361356 602795923 /nfs/dbraw/zinc/79/59/23/602795923.db2.gz DZCIYGFZXIFWPM-QMMMGPOBSA-N -1 0 231.296 0.988 20 0 BCADRM CC(C)[C@H](CNC(=O)N[C@H]1C[C@@H]1C)NC(=O)[O-] ZINC000738783656 602800865 /nfs/dbraw/zinc/80/08/65/602800865.db2.gz DMHFTADFEQIRSS-CIUDSAMLSA-N -1 0 243.307 0.986 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)NC[C@]1(C)CCOC1 ZINC000738994776 602801191 /nfs/dbraw/zinc/80/11/91/602801191.db2.gz LWZNVTOLOSTDLO-XCBNKYQSSA-N -1 0 230.264 0.185 20 0 BCADRM CN(C)C(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000739599943 602801786 /nfs/dbraw/zinc/80/17/86/602801786.db2.gz LRFDITFZDQYEHQ-MRVPVSSYSA-N -1 0 229.280 0.790 20 0 BCADRM CCN(CC(=O)OCC(=O)C(C)C)C(=O)[O-] ZINC000739398204 602815128 /nfs/dbraw/zinc/81/51/28/602815128.db2.gz GLADEKUWJHVMND-UHFFFAOYSA-N -1 0 231.248 0.755 20 0 BCADRM CCN(CC(=O)OCC(F)F)C(=O)[O-] ZINC000739405927 602815643 /nfs/dbraw/zinc/81/56/43/602815643.db2.gz LKTBGOFLDPKSDU-UHFFFAOYSA-N -1 0 211.164 0.795 20 0 BCADRM CC[C@H](C)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739241996 602819440 /nfs/dbraw/zinc/81/94/40/602819440.db2.gz CBLAMYMNVXMRSM-JGVFFNPUSA-N -1 0 230.264 0.280 20 0 BCADRM CCCCCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739327091 602819530 /nfs/dbraw/zinc/81/95/30/602819530.db2.gz RLOJVRRXTWGIPI-SECBINFHSA-N -1 0 244.291 0.672 20 0 BCADRM C/C=C/C(=O)N1CCC(NC(=O)[O-])CC1 ZINC000739207386 602824307 /nfs/dbraw/zinc/82/43/07/602824307.db2.gz OQUCGFLXBNKTEL-NSCUHMNNSA-N -1 0 212.249 0.821 20 0 BCADRM C[C@@H]1C[C@@H](C)N(C(=O)NCCNC(=O)[O-])C1 ZINC000739076768 602828892 /nfs/dbraw/zinc/82/88/92/602828892.db2.gz BVWFCGFKOMNPEP-HTQZYQBOSA-N -1 0 229.280 0.694 20 0 BCADRM CC(C)[C@@H](C)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000738763634 602834905 /nfs/dbraw/zinc/83/49/05/602834905.db2.gz BDRXFVQXDRFHSZ-RKDXNWHRSA-N -1 0 244.291 0.526 20 0 BCADRM CC(C)[C@@H](C)NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000738763629 602835027 /nfs/dbraw/zinc/83/50/27/602835027.db2.gz BDRXFVQXDRFHSZ-BDAKNGLRSA-N -1 0 244.291 0.526 20 0 BCADRM CCC[C@H](C)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739301182 602835352 /nfs/dbraw/zinc/83/53/52/602835352.db2.gz APQAZNZZVDNJIR-DTWKUNHWSA-N -1 0 244.291 0.670 20 0 BCADRM CCCCN(C)C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739331224 602836714 /nfs/dbraw/zinc/83/67/14/602836714.db2.gz WQYGTXCNKPTCJG-SECBINFHSA-N -1 0 244.291 0.624 20 0 BCADRM O=C([O-])NCCC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000738655155 602847406 /nfs/dbraw/zinc/84/74/06/602847406.db2.gz XOTQYPZICQAVDV-YUMQZZPRSA-N -1 0 212.249 0.655 20 0 BCADRM CCONC(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739486868 602884454 /nfs/dbraw/zinc/88/44/54/602884454.db2.gz KXUTUQTVWOZNLX-YUMQZZPRSA-N -1 0 245.279 0.720 20 0 BCADRM CONC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000739844009 602886235 /nfs/dbraw/zinc/88/62/35/602886235.db2.gz ADLXZYVUSARMLC-SSDOTTSWSA-N -1 0 231.252 0.380 20 0 BCADRM CCNC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739461053 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0.322 20 0 BCADRM COC[C@H](C)[C@H](C)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000909041480 639123350 /nfs/dbraw/zinc/12/33/50/639123350.db2.gz YQNTZKMWCQKKGP-OYNCUSHFSA-N -1 0 243.303 0.884 20 0 BCADRM O=C([O-])[C@H](NC(=O)[C@@H](O)C1CCC1)C1CC1 ZINC000909040704 639123477 /nfs/dbraw/zinc/12/34/77/639123477.db2.gz ATAGHDSDHHVHHD-BDAKNGLRSA-N -1 0 227.260 0.127 20 0 BCADRM CCc1nocc1C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000909041550 639124054 /nfs/dbraw/zinc/12/40/54/639124054.db2.gz HLQWWTNQCCEPBF-SECBINFHSA-N -1 0 238.243 0.830 20 0 BCADRM Cc1ncc(C(=O)N[C@@H](C(=O)[O-])C2CC2)n1C ZINC000909043259 639124587 /nfs/dbraw/zinc/12/45/87/639124587.db2.gz PHNNKQQJBLGPDW-SECBINFHSA-N -1 0 237.259 0.322 20 0 BCADRM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC000909043265 639124653 /nfs/dbraw/zinc/12/46/53/639124653.db2.gz PODSHWPSNVHASO-MRTMQBJTSA-N -1 0 249.270 0.493 20 0 BCADRM CC(C)(CC(=O)[O-])NC(=O)c1ncc[nH]1 ZINC000909015239 639125104 /nfs/dbraw/zinc/12/51/04/639125104.db2.gz WRXZDHFHOYGVJK-UHFFFAOYSA-N -1 0 211.221 0.393 20 0 BCADRM O=C([O-])[C@@H](NC(=O)CCc1cn[nH]c1)C1CC1 ZINC000909043263 639125225 /nfs/dbraw/zinc/12/52/25/639125225.db2.gz PNYGEWOAGMADDN-JTQLQIEISA-N -1 0 237.259 0.322 20 0 BCADRM Cc1ncc(C(=O)NC(C)(C)CC(=O)[O-])n1C ZINC000909017055 639126502 /nfs/dbraw/zinc/12/65/02/639126502.db2.gz LIPAAAMLTFSCIM-UHFFFAOYSA-N -1 0 239.275 0.712 20 0 BCADRM Cc1ccn(CC(=O)N[C@H](C(=O)[O-])C2CC2)n1 ZINC000909044122 639127690 /nfs/dbraw/zinc/12/76/90/639127690.db2.gz ZJZNXIUXJJGRJT-JTQLQIEISA-N -1 0 237.259 0.171 20 0 BCADRM CC(C)[C@H](O)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000909072688 639128878 /nfs/dbraw/zinc/12/88/78/639128878.db2.gz CVFUCKMIACVFEG-WPRPVWTQSA-N -1 0 229.276 0.373 20 0 BCADRM CC[C@H](O)[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000909073891 639129265 /nfs/dbraw/zinc/12/92/65/639129265.db2.gz BOYHSUOBVFEDAB-QNSHHTMESA-N -1 0 243.303 0.763 20 0 BCADRM CC[C@@H](CO)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000909053488 639131836 /nfs/dbraw/zinc/13/18/36/639131836.db2.gz IFWQTUAXLBQCCV-GZMMTYOYSA-N -1 0 231.292 0.765 20 0 BCADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@@H](O)C1 ZINC000909053864 639133373 /nfs/dbraw/zinc/13/33/73/639133373.db2.gz AQMAIXZHKUUEAP-RNSXUZJQSA-N -1 0 229.276 0.517 20 0 BCADRM CSCC(C)(C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000909131525 639155226 /nfs/dbraw/zinc/15/52/26/639155226.db2.gz TYVFNKNSJRGVPF-LURJTMIESA-N -1 0 219.306 0.965 20 0 BCADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](O)C1CCC1 ZINC000909059523 639134949 /nfs/dbraw/zinc/13/49/49/639134949.db2.gz XLCOPEWWAYVLKK-JQWIXIFHSA-N -1 0 243.303 0.907 20 0 BCADRM Cc1cc[nH]c1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000909059381 639135119 /nfs/dbraw/zinc/13/51/19/639135119.db2.gz SXUCGNVSSDAMPR-MRVPVSSYSA-N -1 0 238.243 0.249 20 0 BCADRM CC1(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1 ZINC000909062862 639135737 /nfs/dbraw/zinc/13/57/37/639135737.db2.gz MKUOCHRCVWWAAW-YUMQZZPRSA-N -1 0 244.266 0.993 20 0 BCADRM C[C@H](O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000909062932 639136435 /nfs/dbraw/zinc/13/64/35/639136435.db2.gz NWKXQKPQYDLGJC-ZETCQYMHSA-N -1 0 223.228 0.633 20 0 BCADRM CN(CCC(=O)[O-])C(=O)[C@@](C)(O)C1CC1 ZINC000909175180 639163374 /nfs/dbraw/zinc/16/33/74/639163374.db2.gz ONUBZNJGGBVHQV-JTQLQIEISA-N -1 0 215.249 0.081 20 0 BCADRM COC[C@@H](C)[C@H](C)C(=O)N(C)CCC(=O)[O-] ZINC000909175523 639163382 /nfs/dbraw/zinc/16/33/82/639163382.db2.gz SYWUDCYWXRWODN-BDAKNGLRSA-N -1 0 231.292 0.838 20 0 BCADRM CNc1ncc(C(=O)N[C@H](C)CC(=O)[O-])s1 ZINC000909092067 639139277 /nfs/dbraw/zinc/13/92/77/639139277.db2.gz UJQNMQIXRHCVBG-RXMQYKEDSA-N -1 0 243.288 0.778 20 0 BCADRM C[C@H](CC(=O)[O-])NC(=O)COC(F)(F)F ZINC000909092125 639139254 /nfs/dbraw/zinc/13/92/54/639139254.db2.gz WWRRHZPUVHTQKX-SCSAIBSYSA-N -1 0 229.154 0.502 20 0 BCADRM CCC[C@@](C)(O)C(=O)N[C@H](C)CC(=O)[O-] ZINC000909090938 639139466 /nfs/dbraw/zinc/13/94/66/639139466.db2.gz INZHSOUEOHQPIG-GMSGAONNSA-N -1 0 217.265 0.517 20 0 BCADRM CCn1nnc(C)c1C(=O)N[C@H](C)CC(=O)[O-] ZINC000909091620 639139520 /nfs/dbraw/zinc/13/95/20/639139520.db2.gz QAAYYUNVUYERIT-ZCFIWIBFSA-N -1 0 240.263 0.199 20 0 BCADRM Cc1cc(CCC(=O)N[C@H](C)CC(=O)[O-])no1 ZINC000909090639 639139575 /nfs/dbraw/zinc/13/95/75/639139575.db2.gz CAMIHMUETPLMQB-SSDOTTSWSA-N -1 0 240.259 0.895 20 0 BCADRM CCC[C@@H](OC)C(=O)N[C@H](C)CC(=O)[O-] ZINC000909094421 639141065 /nfs/dbraw/zinc/14/10/65/639141065.db2.gz SYJODRVFRTUGDI-HTQZYQBOSA-N -1 0 217.265 0.781 20 0 BCADRM Cc1ccn(C)c1C(=O)N[C@H](C)CC(=O)[O-] ZINC000909093480 639141145 /nfs/dbraw/zinc/14/11/45/639141145.db2.gz BMHGVKDCCOFVMS-MRVPVSSYSA-N -1 0 224.260 0.927 20 0 BCADRM C[C@H](CC(=O)[O-])NC(=O)CCc1c[nH]cn1 ZINC000909095042 639141533 /nfs/dbraw/zinc/14/15/33/639141533.db2.gz JWHPMSMOGXWBDR-SSDOTTSWSA-N -1 0 225.248 0.322 20 0 BCADRM Cc1nc(C)c(C(=O)N[C@H](C)CC(=O)[O-])[nH]1 ZINC000909094918 639142483 /nfs/dbraw/zinc/14/24/83/639142483.db2.gz GQEMIKJTGWNZBX-RXMQYKEDSA-N -1 0 225.248 0.620 20 0 BCADRM CC[C@@H](NC(=O)[C@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000909119369 639149424 /nfs/dbraw/zinc/14/94/24/639149424.db2.gz HVWKUCFMUIVDBA-HTQZYQBOSA-N -1 0 229.276 0.923 20 0 BCADRM CC[C@H](NC(=O)c1csc(CO)n1)C(=O)[O-] ZINC000909120194 639149657 /nfs/dbraw/zinc/14/96/57/639149657.db2.gz SLVFKWQDDNUGCR-YFKPBYRVSA-N -1 0 244.272 0.228 20 0 BCADRM CC[C@H](NC(=O)[C@]1(C)CCCCO1)C(=O)[O-] ZINC000909121056 639149678 /nfs/dbraw/zinc/14/96/78/639149678.db2.gz KODJWSIKHDNBHM-KWQFWETISA-N -1 0 229.276 0.925 20 0 BCADRM CC[C@H](NC(=O)[C@@]1(C)CCCCO1)C(=O)[O-] ZINC000909121054 639149868 /nfs/dbraw/zinc/14/98/68/639149868.db2.gz KODJWSIKHDNBHM-GZMMTYOYSA-N -1 0 229.276 0.925 20 0 BCADRM CC[C@H](NC(=O)c1cccc2nccn21)C(=O)[O-] ZINC000909120664 639149966 /nfs/dbraw/zinc/14/99/66/639149966.db2.gz CJYFIJVHPBRMPF-QMMMGPOBSA-N -1 0 247.254 0.927 20 0 BCADRM CC[C@H](NC(=O)Cn1ccc(C)n1)C(=O)[O-] ZINC000909120340 639149994 /nfs/dbraw/zinc/14/99/94/639149994.db2.gz TXHYDHBZEOZJGD-QMMMGPOBSA-N -1 0 225.248 0.171 20 0 BCADRM CC[C@@H](NC(=O)[C@@]1(C)CCCCO1)C(=O)[O-] ZINC000909121057 639150033 /nfs/dbraw/zinc/15/00/33/639150033.db2.gz KODJWSIKHDNBHM-LDYMZIIASA-N -1 0 229.276 0.925 20 0 BCADRM CC[C@H](NC(=O)[C@@H](O)c1cccnc1)C(=O)[O-] ZINC000909121767 639151100 /nfs/dbraw/zinc/15/11/00/639151100.db2.gz GWWPHIMAOWLQCV-IUCAKERBSA-N -1 0 238.243 0.094 20 0 BCADRM CC[C@@H](NC(=O)CCc1cc(C)on1)C(=O)[O-] ZINC000909123757 639151690 /nfs/dbraw/zinc/15/16/90/639151690.db2.gz WPTYMQXOIKLDKN-SECBINFHSA-N -1 0 240.259 0.895 20 0 BCADRM C[C@H](NC(=O)[C@@]12CCO[C@H]1CCCC2)C(=O)[O-] ZINC000909129587 639151830 /nfs/dbraw/zinc/15/18/30/639151830.db2.gz APUXKLSEJSSDGC-AUTRQRHGSA-N -1 0 241.287 0.925 20 0 BCADRM C[C@@H](NC(=O)Cc1ccc2c(c1)COC2)C(=O)[O-] ZINC000909129866 639152008 /nfs/dbraw/zinc/15/20/08/639152008.db2.gz CBHCLNIZCFKZQC-MRVPVSSYSA-N -1 0 249.266 0.849 20 0 BCADRM CCc1nocc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000909130306 639153481 /nfs/dbraw/zinc/15/34/81/639153481.db2.gz IIJIFXNPFGCDBK-YFKPBYRVSA-N -1 0 212.205 0.440 20 0 BCADRM CNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cn1 ZINC000909130636 639153667 /nfs/dbraw/zinc/15/36/67/639153667.db2.gz PVNXAHRZZOKLPN-ZCFIWIBFSA-N -1 0 223.232 0.326 20 0 BCADRM C[C@@H](NC(=O)C1(C)CCC(=O)CC1)C(=O)[O-] ZINC000909130249 639153706 /nfs/dbraw/zinc/15/37/06/639153706.db2.gz GUZVMMIPHUEXOT-SSDOTTSWSA-N -1 0 227.260 0.725 20 0 BCADRM C[C@H](NC(=O)c1cnc(C2CC2)nc1)C(=O)[O-] ZINC000909130826 639153912 /nfs/dbraw/zinc/15/39/12/639153912.db2.gz NXERAFDNXXLUDJ-LURJTMIESA-N -1 0 235.243 0.557 20 0 BCADRM C[C@H](NC(=O)COCC1CCCC1)C(=O)[O-] ZINC000909131287 639154298 /nfs/dbraw/zinc/15/42/98/639154298.db2.gz SCMMQBMETDJYIM-QMMMGPOBSA-N -1 0 229.276 0.783 20 0 BCADRM COC[C@H](C)[C@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000909132397 639154668 /nfs/dbraw/zinc/15/46/68/639154668.db2.gz REKNUZWLSWJEKG-FXQIFTODSA-N -1 0 217.265 0.494 20 0 BCADRM C[C@H](NC(=O)c1cc(C(F)F)n[nH]1)C(=O)[O-] ZINC000909131537 639154789 /nfs/dbraw/zinc/15/47/89/639154789.db2.gz UBWSDWMXGQMAPL-VKHMYHEASA-N -1 0 233.174 0.550 20 0 BCADRM Cc1cncc(CCC(=O)N[C@H](C)C(=O)[O-])c1 ZINC000909131833 639154996 /nfs/dbraw/zinc/15/49/96/639154996.db2.gz XRHAQCBDSNGJJS-SECBINFHSA-N -1 0 236.271 0.912 20 0 BCADRM C[C@H](NC(=O)c1occ2c1CCC2)C(=O)[O-] ZINC000909132609 639155101 /nfs/dbraw/zinc/15/51/01/639155101.db2.gz UQBWKMXYMFKKHS-LURJTMIESA-N -1 0 223.228 0.971 20 0 BCADRM C[C@@H](NC(=O)Cc1ccc2n[nH]cc2c1)C(=O)[O-] ZINC000909131613 639155145 /nfs/dbraw/zinc/15/51/45/639155145.db2.gz VVJINZZTLXHBCP-SSDOTTSWSA-N -1 0 247.254 0.695 20 0 BCADRM C[C@@H](NC(=O)[C@]1(O)CCCC(C)(C)C1)C(=O)[O-] ZINC000909132223 639155164 /nfs/dbraw/zinc/15/51/64/639155164.db2.gz PIWPRWFRFAUUSU-PELKAZGASA-N -1 0 243.303 0.907 20 0 BCADRM C[C@@H](NC(=O)c1c[nH]nc1C(C)(C)C)C(=O)[O-] ZINC000909131911 639155189 /nfs/dbraw/zinc/15/51/89/639155189.db2.gz LKSDDACQCJXGBV-ZCFIWIBFSA-N -1 0 239.275 0.910 20 0 BCADRM CCn1nncc1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000909150156 639157267 /nfs/dbraw/zinc/15/72/67/639157267.db2.gz SGWRHVHCRGRNCO-SSDOTTSWSA-N -1 0 240.263 0.091 20 0 BCADRM Cc1cnccc1CC(=O)N(C)CCC(=O)[O-] ZINC000909174308 639163857 /nfs/dbraw/zinc/16/38/57/639163857.db2.gz HMXWKKJASFXOFT-UHFFFAOYSA-N -1 0 236.271 0.866 20 0 BCADRM CCn1nc(C)c(C(=O)N(C)CCC(=O)[O-])n1 ZINC000909177057 639163981 /nfs/dbraw/zinc/16/39/81/639163981.db2.gz XHKTXSOMLTWWFN-UHFFFAOYSA-N -1 0 240.263 0.153 20 0 BCADRM O=C([O-])CCCCNC(=O)c1ncc[nH]1 ZINC000909182555 639165506 /nfs/dbraw/zinc/16/55/06/639165506.db2.gz SZUXGHVDZAAJTC-UHFFFAOYSA-N -1 0 211.221 0.394 20 0 BCADRM CCOc1nc(C(=O)N(C)CCC(=O)[O-])co1 ZINC000909168352 639167756 /nfs/dbraw/zinc/16/77/56/639167756.db2.gz RSJPEYPZEMFZDP-UHFFFAOYSA-N -1 0 242.231 0.620 20 0 BCADRM CO[C@@H](C(=O)N(C)CCC(=O)[O-])C(C)C ZINC000909167762 639168310 /nfs/dbraw/zinc/16/83/10/639168310.db2.gz PDZZQZUBKWBLBV-SECBINFHSA-N -1 0 217.265 0.591 20 0 BCADRM COC1(C(=O)N(C)CCC(=O)[O-])CC1 ZINC000909169115 639168362 /nfs/dbraw/zinc/16/83/62/639168362.db2.gz WGAJQONEYBTMAI-UHFFFAOYSA-N -1 0 201.222 0.099 20 0 BCADRM Cc1nc(C(=O)N(C)CCC(=O)[O-])c(C)o1 ZINC000909169085 639168406 /nfs/dbraw/zinc/16/84/06/639168406.db2.gz VCXUSDSSLAZRFI-UHFFFAOYSA-N -1 0 226.232 0.838 20 0 BCADRM O=C([O-])[C@@H]1CN(C(=O)Cc2ccoc2)CCO1 ZINC000909217392 639169485 /nfs/dbraw/zinc/16/94/85/639169485.db2.gz OLYAONCWMLHISC-VIFPVBQESA-N -1 0 239.227 0.134 20 0 BCADRM CC[C@@H]1C[C@H]1NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000909217503 639169722 /nfs/dbraw/zinc/16/97/22/639169722.db2.gz MUDGOPLXVFSFDL-XAVMHZPKSA-N -1 0 244.266 0.992 20 0 BCADRM CCn1ccnc1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000909201177 639170855 /nfs/dbraw/zinc/17/08/55/639170855.db2.gz CLGPKFQWUGVCCZ-SSDOTTSWSA-N -1 0 225.248 0.354 20 0 BCADRM C[C@H](CNC(=O)[C@@H]1C[C@]12CCOC2)C(=O)[O-] ZINC000909200962 639171023 /nfs/dbraw/zinc/17/10/23/639171023.db2.gz FPELANAHIVGSRY-FYBVGQRMSA-N -1 0 227.260 0.250 20 0 BCADRM C/C(=C/C(=O)NC[C@@H](C)C(=O)[O-])c1cnccn1 ZINC000909201368 639171047 /nfs/dbraw/zinc/17/10/47/639171047.db2.gz IBGHLUHNCXNDJP-BZJXQOFCSA-N -1 0 249.270 0.717 20 0 BCADRM C[C@H](CNC(=O)C1(c2ccccn2)CC1)C(=O)[O-] ZINC000909203295 639172066 /nfs/dbraw/zinc/17/20/66/639172066.db2.gz WUQSWVPFARAGQQ-SECBINFHSA-N -1 0 248.282 0.950 20 0 BCADRM C[C@H](CNC(=O)c1cccc2ncnn21)C(=O)[O-] ZINC000909202339 639172146 /nfs/dbraw/zinc/17/21/46/639172146.db2.gz MJNJLXZWZNZWCF-SSDOTTSWSA-N -1 0 248.242 0.180 20 0 BCADRM C[C@H](CNC(=O)[C@H]1CCCOCC1)C(=O)[O-] ZINC000909203239 639172273 /nfs/dbraw/zinc/17/22/73/639172273.db2.gz VZMXJBLDRHEEFY-BDAKNGLRSA-N -1 0 229.276 0.640 20 0 BCADRM CC1(CCNC(=O)N[C@H](CF)C(=O)[O-])CC1 ZINC000909205744 639172610 /nfs/dbraw/zinc/17/26/10/639172610.db2.gz CRPXTLDMSJIOQA-SSDOTTSWSA-N -1 0 232.255 0.899 20 0 BCADRM CO[C@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000909208784 639173455 /nfs/dbraw/zinc/17/34/55/639173455.db2.gz RFWANMSAUKBGRP-CIUDSAMLSA-N -1 0 229.276 0.781 20 0 BCADRM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)C(=O)[O-] ZINC000909211214 639173557 /nfs/dbraw/zinc/17/35/57/639173557.db2.gz RRHKFCSDCAYWIO-SCSAIBSYSA-N -1 0 247.201 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CC1(C(=O)[O-])CN(C(=O)c2ccc(CO)cc2)C1 ZINC000399370259 711429516 /nfs/dbraw/zinc/42/95/16/711429516.db2.gz RVIQEUZWUVWMQG-UHFFFAOYSA-N -1 0 249.266 0.726 20 0 BCADRM CC[C@H]1C[C@H](C)CN1C(=O)COCC(=O)[O-] ZINC000399507635 711430211 /nfs/dbraw/zinc/43/02/11/711430211.db2.gz MIRCTINEMZSRJE-IUCAKERBSA-N -1 0 229.276 0.735 20 0 BCADRM O=C([O-])[C@H](CC1CC1)NC(=O)c1ccn[nH]1 ZINC000380859890 710591696 /nfs/dbraw/zinc/59/16/96/710591696.db2.gz KOYGFCOORVOXDW-QMMMGPOBSA-N -1 0 223.232 0.393 20 0 BCADRM C[C@@H](O)[C@H](NC(=O)OC1CCCC1)C(=O)[O-] ZINC000380891617 710593158 /nfs/dbraw/zinc/59/31/58/710593158.db2.gz OJUOTPLXZNTGPA-SVRRBLITSA-N -1 0 231.248 0.489 20 0 BCADRM COC[C@H](CNC(=O)NCC(=O)[O-])C(C)C ZINC000721945855 710693713 /nfs/dbraw/zinc/69/37/13/710693713.db2.gz WQQSIYYLESANNW-QMMMGPOBSA-N -1 0 232.280 0.289 20 0 BCADRM CO[N-]C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000146867242 710835675 /nfs/dbraw/zinc/83/56/75/710835675.db2.gz GINNXEQORGMYNM-UHFFFAOYSA-N -1 0 228.635 0.956 20 0 BCADRM Cc1cc(=NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])[nH]n1C ZINC000397188642 710909854 /nfs/dbraw/zinc/90/98/54/710909854.db2.gz KFOISUHMTNSCCP-SFYZADRCSA-N -1 0 237.259 0.200 20 0 BCADRM CN(Cc1cnn(C)n1)C1(C(=O)[O-])CCCC1 ZINC000383611615 710985180 /nfs/dbraw/zinc/98/51/80/710985180.db2.gz SRQYYFOFMKFZCL-UHFFFAOYSA-N -1 0 238.291 0.644 20 0 BCADRM CC/C=C\CNC(=O)N[C@H](COC)C(=O)[O-] ZINC000384939631 711001597 /nfs/dbraw/zinc/00/15/97/711001597.db2.gz DVCAALBQVZWUJB-PULIVWKDSA-N -1 0 230.264 0.351 20 0 BCADRM Cc1ccc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)o1 ZINC000386470204 711030273 /nfs/dbraw/zinc/03/02/73/711030273.db2.gz OUZXQCQLDJKYAQ-LLVKDONJSA-N -1 0 239.227 0.250 20 0 BCADRM CC(C)(C)CC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386500690 711031105 /nfs/dbraw/zinc/03/11/05/711031105.db2.gz UKHKWXFEANOURX-LLVKDONJSA-N -1 0 229.276 0.471 20 0 BCADRM CC[C@@H](C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386481088 711031157 /nfs/dbraw/zinc/03/11/57/711031157.db2.gz QLGACOHKGRUZLJ-XCBNKYQSSA-N -1 0 215.249 0.081 20 0 BCADRM Cc1ccccc1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386567666 711032925 /nfs/dbraw/zinc/03/29/25/711032925.db2.gz PYSHWLNYNCPNNA-CYBMUJFWSA-N -1 0 249.266 0.657 20 0 BCADRM CC[C@@H](C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])OC ZINC000394336880 711190707 /nfs/dbraw/zinc/19/07/07/711190707.db2.gz YNKWYTWSOLECQK-DOLQZWNJSA-N -1 0 243.303 0.884 20 0 BCADRM Cc1ccc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1 ZINC000395329953 711208279 /nfs/dbraw/zinc/20/82/79/711208279.db2.gz RUTPBDKZZBZYKG-ZDUSSCGKSA-N -1 0 249.266 0.657 20 0 BCADRM O=C([O-])[C@@H](NC(=O)c1ccncn1)C1CC1 ZINC000396502163 711222643 /nfs/dbraw/zinc/22/26/43/711222643.db2.gz XBJXHQCEZHTAEY-QMMMGPOBSA-N -1 0 221.216 0.070 20 0 BCADRM Cc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)nn1 ZINC000396527407 711222650 /nfs/dbraw/zinc/22/26/50/711222650.db2.gz QSCSPXSYEJQEDC-LBPRGKRZSA-N -1 0 249.270 0.722 20 0 BCADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccncn2)C1 ZINC000396500640 711222885 /nfs/dbraw/zinc/22/28/85/711222885.db2.gz VTLISLUPZGIWGK-BDAKNGLRSA-N 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711567624 /nfs/dbraw/zinc/56/76/24/711567624.db2.gz WGWMADVQTDBMGM-IUCAKERBSA-N -1 0 237.259 0.788 20 0 BCADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)C1(C(=O)[O-])CCC1 ZINC000724185089 711567736 /nfs/dbraw/zinc/56/77/36/711567736.db2.gz BFMWFRHGHCEJQI-DTWKUNHWSA-N -1 0 241.287 0.877 20 0 BCADRM O=c1[n-]c(CNc2cc(C(F)F)ncn2)n[nH]1 ZINC000724659725 711606861 /nfs/dbraw/zinc/60/68/61/711606861.db2.gz DVSBAHXPSVVJBC-UHFFFAOYSA-N -1 0 242.189 0.850 20 0 BCADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H](C)CO1 ZINC000718404360 711656922 /nfs/dbraw/zinc/65/69/22/711656922.db2.gz MLWYBZXBZUCORH-UWVGGRQHSA-N -1 0 243.303 0.981 20 0 BCADRM C[C@@H](NC(=O)[C@@H]1C[C@H](C)CO1)[C@@H](C)C(=O)[O-] ZINC000718440178 711657659 /nfs/dbraw/zinc/65/76/59/711657659.db2.gz CYAWEJWYUYMILA-KDXUFGMBSA-N -1 0 229.276 0.637 20 0 BCADRM Cc1c[nH]nc1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000309320489 711674570 /nfs/dbraw/zinc/67/45/70/711674570.db2.gz GTOTUUDOXGOHEN-SSDOTTSWSA-N -1 0 225.248 0.701 20 0 BCADRM C/C=C(\C)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000309717586 711700434 /nfs/dbraw/zinc/70/04/34/711700434.db2.gz ZJTBUFHQYSYGKO-IPQKIJNHSA-N -1 0 227.260 0.655 20 0 BCADRM C[C@H](CCCCO)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000398547322 711712820 /nfs/dbraw/zinc/71/28/20/711712820.db2.gz WQXTWVUSXMIYNV-IWSPIJDZSA-N -1 0 229.276 0.374 20 0 BCADRM Cc1nocc1C(=O)NC(C)(C)C(=O)[O-] ZINC000257632883 711719324 /nfs/dbraw/zinc/71/93/24/711719324.db2.gz BGBAMUOGWZIBND-UHFFFAOYSA-N -1 0 212.205 0.576 20 0 BCADRM COC(=O)[C@H]1CCN(c2cc(=O)[nH]cn2)[C@@H]1C ZINC000893420004 711721528 /nfs/dbraw/zinc/72/15/28/711721528.db2.gz INSXZERAFIIONC-SFYZADRCSA-N -1 0 237.259 0.570 20 0 BCADRM CON(C)CC(=O)[N-]OCc1ccccc1 ZINC000093158615 711721608 /nfs/dbraw/zinc/72/16/08/711721608.db2.gz JHJNZOKJGVSJAU-UHFFFAOYSA-N -1 0 224.260 0.728 20 0 BCADRM O=C([O-])[C@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 ZINC000257674055 711725758 /nfs/dbraw/zinc/72/57/58/711725758.db2.gz HTFOUQDQRHBWBN-UWVGGRQHSA-N -1 0 241.287 0.736 20 0 BCADRM 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CCc1cc(N(C)CC(=O)[O-])n2ncnc2n1 ZINC000416406760 487899540 /nfs/dbraw/zinc/89/95/40/487899540.db2.gz ZVUHYLVYCNIALH-UHFFFAOYSA-N -1 0 235.247 0.208 20 0 BCADRM CCc1cc(C(=O)NC[C@H](C)C(=O)[O-])n(C)n1 ZINC000090125689 487905436 /nfs/dbraw/zinc/90/54/36/487905436.db2.gz VKRCILCZYGZPLJ-ZETCQYMHSA-N -1 0 239.275 0.433 20 0 BCADRM COC[C@H](NC(=O)N(C)CC(C)(C)C)C(=O)[O-] ZINC000159463681 487907875 /nfs/dbraw/zinc/90/78/75/487907875.db2.gz NEWMOTYYOKSSEQ-QMMMGPOBSA-N -1 0 246.307 0.774 20 0 BCADRM CCc1cc(C(=O)N[C@H](C)CC(=O)[O-])n(C)n1 ZINC000090125502 487907665 /nfs/dbraw/zinc/90/76/65/487907665.db2.gz HWWPJLNGFFYBLB-SSDOTTSWSA-N -1 0 239.275 0.576 20 0 BCADRM C[C@@H](C(=O)[O-])C(=O)N1CCc2ccc(O)cc2C1 ZINC000229343131 487908826 /nfs/dbraw/zinc/90/88/26/487908826.db2.gz OPZSUKGIPMHAKD-MRVPVSSYSA-N -1 0 249.266 0.998 20 0 BCADRM CC[C@@H](CNC(=O)COC(C)C)C(=O)[O-] ZINC000164985760 487911785 /nfs/dbraw/zinc/91/17/85/487911785.db2.gz QMESWOYXJURWCM-QMMMGPOBSA-N -1 0 217.265 0.638 20 0 BCADRM CC[C@H](CNC(=O)c1cc(C)n[nH]1)C(=O)[O-] ZINC000083593655 487921309 /nfs/dbraw/zinc/92/13/09/487921309.db2.gz GLXTWOSGUQQBSL-SSDOTTSWSA-N -1 0 225.248 0.559 20 0 BCADRM CC[C@@H](CNC(=O)c1cc(C)n[nH]1)C(=O)[O-] ZINC000083593653 487921515 /nfs/dbraw/zinc/92/15/15/487921515.db2.gz GLXTWOSGUQQBSL-ZETCQYMHSA-N -1 0 225.248 0.559 20 0 BCADRM CC[C@@H](CNC(=O)c1ccc[nH]1)C(=O)[O-] ZINC000083594154 487921035 /nfs/dbraw/zinc/92/10/35/487921035.db2.gz VSTVLHMJKHJQOK-ZETCQYMHSA-N -1 0 210.233 0.855 20 0 BCADRM CC[C@H](CNC(=O)c1cnn(C)c1)C(=O)[O-] ZINC000083594159 487921062 /nfs/dbraw/zinc/92/10/62/487921062.db2.gz UWURFXXLFTZMRR-SSDOTTSWSA-N -1 0 225.248 0.261 20 0 BCADRM COCCC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000083593195 487921929 /nfs/dbraw/zinc/92/19/29/487921929.db2.gz HRDZJOAXFGUATJ-MRVPVSSYSA-N -1 0 217.265 0.496 20 0 BCADRM CCNC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000083602092 487924200 /nfs/dbraw/zinc/92/42/00/487924200.db2.gz UCHCWLMYFOVUGO-SSDOTTSWSA-N -1 0 202.254 0.662 20 0 BCADRM C[C@](O)(CNC(=O)NC1CCCCC1)C(=O)[O-] ZINC000090276705 487926626 /nfs/dbraw/zinc/92/66/26/487926626.db2.gz BVDRKKJPFXTIHB-NSHDSACASA-N -1 0 244.291 0.454 20 0 BCADRM COC[C@@H](C)CNC(=O)CC(C)(C)C(=O)[O-] ZINC000083686849 487927675 /nfs/dbraw/zinc/92/76/75/487927675.db2.gz UUOUDHINHSNSEK-QMMMGPOBSA-N -1 0 231.292 0.886 20 0 BCADRM C[C@H]1C[C@H](C)N(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000669067081 487928396 /nfs/dbraw/zinc/92/83/96/487928396.db2.gz WNDYEPLAKBEGQN-YUMQZZPRSA-N -1 0 223.276 0.996 20 0 BCADRM CCN(C[C@@H]1CCCO1)C(=O)c1cc(=O)[nH][n-]1 ZINC000667061141 487935427 /nfs/dbraw/zinc/93/54/27/487935427.db2.gz IHOKLCZTILMNLW-QMMMGPOBSA-N -1 0 239.275 0.756 20 0 BCADRM Cc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H]2CO)c1[O-] ZINC000682365790 487940104 /nfs/dbraw/zinc/94/01/04/487940104.db2.gz GTNIXYFYNFCBNL-HTRCEHHLSA-N -1 0 239.275 0.267 20 0 BCADRM C[C@@H](CNC(=O)NCC1CCOCC1)C(=O)[O-] ZINC000111180991 487945053 /nfs/dbraw/zinc/94/50/53/487945053.db2.gz JYDLAUWGTQEQIK-QMMMGPOBSA-N -1 0 244.291 0.433 20 0 BCADRM O=C(NCc1nnn[n-]1)[C@H]1CCCC(F)(F)C1 ZINC000302309663 487955677 /nfs/dbraw/zinc/95/56/77/487955677.db2.gz BAADZUKIKHRPGD-LURJTMIESA-N -1 0 245.233 0.641 20 0 BCADRM C[C@@H]1CN(c2ccnc(C(=O)[O-])c2)C[C@@H]1O ZINC000387669676 487956816 /nfs/dbraw/zinc/95/68/16/487956816.db2.gz CNNBSUWNGLKCRT-XCBNKYQSSA-N -1 0 222.244 0.597 20 0 BCADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1CCC(=O)[O-] ZINC000556714371 322920271 /nfs/dbraw/zinc/92/02/71/322920271.db2.gz DSPFHBZLOCHTOH-BDAKNGLRSA-N -1 0 249.332 0.769 20 0 BCADRM CCOC(=O)CNC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000569366751 322964895 /nfs/dbraw/zinc/96/48/95/322964895.db2.gz IVEDLSRAGJPEJH-QMMMGPOBSA-N -1 0 231.248 0.023 20 0 BCADRM CCC[C@H](NC(=O)c1cc(C)ncn1)C(=O)[O-] ZINC000257710575 322983451 /nfs/dbraw/zinc/98/34/51/322983451.db2.gz STCADHCUHXTQOS-QMMMGPOBSA-N -1 0 237.259 0.768 20 0 BCADRM CN(Cc1cnccn1)C(=O)C(C)(C)C(=O)[O-] ZINC000566288087 322983519 /nfs/dbraw/zinc/98/35/19/322983519.db2.gz AMDPEKKCZFPQJX-UHFFFAOYSA-N -1 0 237.259 0.546 20 0 BCADRM O=C([O-])CCC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000564979434 322988527 /nfs/dbraw/zinc/98/85/27/322988527.db2.gz SCMGYOACNWWJLU-BDAKNGLRSA-N -1 0 227.260 0.489 20 0 BCADRM CCO[C@@H](CC)C(=O)N[C@H](CCOC)C(=O)[O-] ZINC000562236238 323013688 /nfs/dbraw/zinc/01/36/88/323013688.db2.gz CSSYFJZICRBKPC-BDAKNGLRSA-N -1 0 247.291 0.407 20 0 BCADRM O=C([O-])CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000562430280 323019784 /nfs/dbraw/zinc/01/97/84/323019784.db2.gz QAEKZILPKMTCFW-BDAKNGLRSA-N -1 0 242.275 0.328 20 0 BCADRM C[C@H](N=c1nn[n-]n1C)c1nc2ccccc2[nH]1 ZINC000562823660 323031868 /nfs/dbraw/zinc/03/18/68/323031868.db2.gz MGGRYMCQECJPBU-ZETCQYMHSA-N -1 0 243.274 0.681 20 0 BCADRM Cc1c(Cl)c(C(=O)N[C@H](C)C(=O)[O-])nn1C ZINC000569693307 323037274 /nfs/dbraw/zinc/03/72/74/323037274.db2.gz GTGITQDPONOPLO-SCSAIBSYSA-N -1 0 245.666 0.585 20 0 BCADRM CC[C@@]1(O)CCN(c2nc(C(=O)[O-])co2)C1 ZINC000569813467 323041314 /nfs/dbraw/zinc/04/13/14/323041314.db2.gz HGKWSSDBAVEOCT-SNVBAGLBSA-N -1 0 226.232 0.724 20 0 BCADRM CC(C)[C@H](C(=O)[O-])C(=O)NCCc1ncc[nH]1 ZINC000570048021 323048089 /nfs/dbraw/zinc/04/80/89/323048089.db2.gz DILFHLCMVHMDKO-VIFPVBQESA-N -1 0 239.275 0.425 20 0 BCADRM CC(C)(C(=O)[O-])C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000570162862 323051541 /nfs/dbraw/zinc/05/15/41/323051541.db2.gz SBPYFMPIGABUCP-IWSPIJDZSA-N -1 0 241.287 0.781 20 0 BCADRM Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H](C)C(=O)[O-] ZINC000570161387 323051557 /nfs/dbraw/zinc/05/15/57/323051557.db2.gz LEYIUZRDGULSIM-RNFRBKRXSA-N -1 0 239.275 0.626 20 0 BCADRM O=C([O-])c1coc(N2CCn3cncc3C2)n1 ZINC000573004167 323051902 /nfs/dbraw/zinc/05/19/02/323051902.db2.gz QSZBKGQUZZORCH-UHFFFAOYSA-N -1 0 234.215 0.590 20 0 BCADRM CC1(S(=O)(=O)NCCCC(=O)[O-])CC1 ZINC000570207317 323052793 /nfs/dbraw/zinc/05/27/93/323052793.db2.gz HZDBYTDDAVFHEW-UHFFFAOYSA-N -1 0 221.278 0.323 20 0 BCADRM CN(CC(=O)[O-])S(=O)(=O)CCC(F)(F)F ZINC000570215913 323053449 /nfs/dbraw/zinc/05/34/49/323053449.db2.gz LXQWAAVXMJZTEC-UHFFFAOYSA-N -1 0 249.210 0.285 20 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BCADRM CO[C@H]1C[C@@H](C(=O)[O-])N(Cc2ccccn2)C1 ZINC000563284661 323108312 /nfs/dbraw/zinc/10/83/12/323108312.db2.gz UHSNLTUEOKLQEB-QWRGUYRKSA-N -1 0 236.271 0.756 20 0 BCADRM CCc1noc(CC)c1CN=c1nn[n-]n1C ZINC000531786001 323113237 /nfs/dbraw/zinc/11/32/37/323113237.db2.gz SXPMUYAUIOMHBX-UHFFFAOYSA-N -1 0 236.279 0.357 20 0 BCADRM CN(c1ncc(C(=O)[O-])cn1)[C@H]1CCCOC1 ZINC000402034196 323133515 /nfs/dbraw/zinc/13/35/15/323133515.db2.gz CGRDUMLETOCJEF-VIFPVBQESA-N -1 0 237.259 0.790 20 0 BCADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cn2c(n1)CCC2 ZINC000571088809 323135427 /nfs/dbraw/zinc/13/54/27/323135427.db2.gz UPIMTHWMHZHARF-ZETCQYMHSA-N -1 0 237.259 0.374 20 0 BCADRM CCOCC1(C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000571325366 323141409 /nfs/dbraw/zinc/14/14/09/323141409.db2.gz NEUVIICVMNGPDP-SECBINFHSA-N -1 0 241.287 0.736 20 0 BCADRM CCCC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000571344380 323142083 /nfs/dbraw/zinc/14/20/83/323142083.db2.gz HDGVMQVZXRSDHL-DTWKUNHWSA-N -1 0 229.276 0.877 20 0 BCADRM CCCC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000571344379 323142222 /nfs/dbraw/zinc/14/22/22/323142222.db2.gz HDGVMQVZXRSDHL-BDAKNGLRSA-N -1 0 229.276 0.877 20 0 BCADRM C[C@@H]1C[C@H]1CNC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000163542023 323143202 /nfs/dbraw/zinc/14/32/02/323143202.db2.gz JYWXBTVQZACFLK-HRDYMLBCSA-N -1 0 226.276 0.901 20 0 BCADRM O=C([O-])[C@@H]1CCN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC000571445119 323144767 /nfs/dbraw/zinc/14/47/67/323144767.db2.gz QCTOWGFDAYHUII-MRVPVSSYSA-N -1 0 249.270 0.834 20 0 BCADRM Cc1cc(CNC(=O)[C@H](C(=O)[O-])C(C)C)on1 ZINC000571562933 323148053 /nfs/dbraw/zinc/14/80/53/323148053.db2.gz DVSSBHYDSHLCGA-SECBINFHSA-N -1 0 240.259 0.956 20 0 BCADRM C[C@@H](c1ccncc1)N(C)C(=O)c1n[nH]c(=O)[n-]1 ZINC000049349415 323159909 /nfs/dbraw/zinc/15/99/09/323159909.db2.gz WGIFHUQMXJLWGV-ZETCQYMHSA-N -1 0 247.258 0.739 20 0 BCADRM C[C@H](CNC(=O)COC[C@H]1CCCO1)C(=O)[O-] ZINC000532004326 323166409 /nfs/dbraw/zinc/16/64/09/323166409.db2.gz CVIWGNGXIRHWJH-RKDXNWHRSA-N -1 0 245.275 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BCADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCCCCO ZINC000736427282 585001709 /nfs/dbraw/zinc/00/17/09/585001709.db2.gz RSPMDJMWLZVICL-SECBINFHSA-N -1 0 247.291 0.984 20 0 BCADRM CCCN(C(=O)N=c1nn[n-]n1CC)C(C)C ZINC000888323162 585002742 /nfs/dbraw/zinc/00/27/42/585002742.db2.gz TXUGDWICIJHOGN-UHFFFAOYSA-N -1 0 240.311 0.767 20 0 BCADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000888323198 585002979 /nfs/dbraw/zinc/00/29/79/585002979.db2.gz VCMLUHQUPJELKB-RNLVFQAGSA-N -1 0 236.279 0.035 20 0 BCADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CC1(C)C ZINC000888324391 585003768 /nfs/dbraw/zinc/00/37/68/585003768.db2.gz XGTCPTWIQSTRTR-LURJTMIESA-N -1 0 224.268 0.035 20 0 BCADRM CC(C)N1CC(=O)N(CCCC(=O)[O-])C1=O ZINC000736474041 585004038 /nfs/dbraw/zinc/00/40/38/585004038.db2.gz HCKBIYHVYWYKJN-UHFFFAOYSA-N -1 0 228.248 0.524 20 0 BCADRM CC(C)OCC(=O)OCCNC(=O)[O-] ZINC000736485398 585004255 /nfs/dbraw/zinc/00/42/55/585004255.db2.gz UVHXORBFJDOZTB-UHFFFAOYSA-N -1 0 205.210 0.222 20 0 BCADRM CC(C)n1cc(NC(=O)CNC(=O)[O-])cn1 ZINC000736532170 585004870 /nfs/dbraw/zinc/00/48/70/585004870.db2.gz ASPQYWIFNJDXGG-UHFFFAOYSA-N -1 0 226.236 0.670 20 0 BCADRM C[C@H](CC(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CC1 ZINC000736540677 585005450 /nfs/dbraw/zinc/00/54/50/585005450.db2.gz CEURAIODEFVACE-PSASIEDQSA-N -1 0 241.287 0.735 20 0 BCADRM C[C@@H](CC(=O)[O-])SCCNS(C)(=O)=O ZINC000736551777 585005625 /nfs/dbraw/zinc/00/56/25/585005625.db2.gz ITMKPKYHXPGBCK-LURJTMIESA-N -1 0 241.334 0.132 20 0 BCADRM C[C@H](CSCCCS(N)(=O)=O)C(=O)[O-] ZINC000736612688 585006999 /nfs/dbraw/zinc/00/69/99/585006999.db2.gz AJKZXGYMCGRJLZ-ZCFIWIBFSA-N -1 0 241.334 0.119 20 0 BCADRM CC(C)[C@H](SC[C@@H](C)C(=O)[O-])C(N)=O ZINC000736607456 585007525 /nfs/dbraw/zinc/00/75/25/585007525.db2.gz RPVPYHXDEPSCJJ-RQJHMYQMSA-N -1 0 219.306 0.950 20 0 BCADRM C[C@@H](NC(=O)CCCNC(=O)[O-])[C@@H]1CCCO1 ZINC000736637771 585008589 /nfs/dbraw/zinc/00/85/89/585008589.db2.gz XNOPJDJAVYGYEP-BDAKNGLRSA-N -1 0 244.291 0.718 20 0 BCADRM C[C@@H](NC(=O)CNC(=O)[O-])C(=O)OC(C)(C)C ZINC000736639986 585008642 /nfs/dbraw/zinc/00/86/42/585008642.db2.gz YORNOBGGTVDSMF-ZCFIWIBFSA-N -1 0 246.263 0.100 20 0 BCADRM C[C@H](NC(=O)CCCNC(=O)[O-])[C@@H]1CCCO1 ZINC000736637775 585008694 /nfs/dbraw/zinc/00/86/94/585008694.db2.gz XNOPJDJAVYGYEP-IUCAKERBSA-N -1 0 244.291 0.718 20 0 BCADRM C[C@@H](NC(=O)CCCNC(=O)[O-])[C@H]1CCCO1 ZINC000736637779 585008737 /nfs/dbraw/zinc/00/87/37/585008737.db2.gz XNOPJDJAVYGYEP-RKDXNWHRSA-N -1 0 244.291 0.718 20 0 BCADRM C[C@H](NC(=O)NCCCCC(=O)[O-])C(C)(C)O ZINC000736645366 585008739 /nfs/dbraw/zinc/00/87/39/585008739.db2.gz DEGPAUOHUFVKOA-QMMMGPOBSA-N -1 0 246.307 0.700 20 0 BCADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)C(N)=O ZINC000736662862 585008754 /nfs/dbraw/zinc/00/87/54/585008754.db2.gz SYFIUMFUXHUHGQ-HZGVNTEJSA-N -1 0 240.234 0.415 20 0 BCADRM C[C@@H](NC(=O)CN(C)C(=O)[O-])c1cnn(C)c1 ZINC000736639917 585008814 /nfs/dbraw/zinc/00/88/14/585008814.db2.gz HCYDJXAHBIRJCA-SSDOTTSWSA-N -1 0 240.263 0.207 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214.265 0.806 20 0 BCADRM CC(C)(NC(=O)[O-])C(=O)NC[C@]1(C)CCOC1 ZINC000736737193 585010791 /nfs/dbraw/zinc/01/07/91/585010791.db2.gz GKGWZGWHEBPLCD-NSHDSACASA-N -1 0 244.291 0.575 20 0 BCADRM CC1(C)COC(=O)[C@@H]1OC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000736737275 585010956 /nfs/dbraw/zinc/01/09/56/585010956.db2.gz MFLFZSZSPQAKDD-QYNIQEEDSA-N -1 0 242.227 0.202 20 0 BCADRM CC1(C)[C@H](OC(=O)CNC(=O)[O-])[C@H]2CCO[C@H]21 ZINC000736725889 585011014 /nfs/dbraw/zinc/01/10/14/585011014.db2.gz ASSHGBDXCZYLMJ-NBEYISGCSA-N -1 0 243.259 0.611 20 0 BCADRM CC1(C)[C@@H]2OCC[C@H]2[C@@H]1OC(=O)CNC(=O)[O-] ZINC000736725890 585011032 /nfs/dbraw/zinc/01/10/32/585011032.db2.gz ASSHGBDXCZYLMJ-VDAHYXPESA-N -1 0 243.259 0.611 20 0 BCADRM CC(C)(NC(=O)[O-])C(=O)OCC1(C)COC1 ZINC000736738264 585011077 /nfs/dbraw/zinc/01/10/77/585011077.db2.gz KPHMNHDGMUOGOS-UHFFFAOYSA-N -1 0 231.248 0.612 20 0 BCADRM C[C@@H](C(=O)O[C@@H](C)C(=O)[O-])c1cnn(C)c1 ZINC000820166485 585011078 /nfs/dbraw/zinc/01/10/78/585011078.db2.gz 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585029818 /nfs/dbraw/zinc/02/98/18/585029818.db2.gz KLXUFRNFRZYXPY-QMMMGPOBSA-N -1 0 238.291 0.519 20 0 BCADRM CCc1ocnc1C(=O)O[C@@H](C)C(=O)[O-] ZINC000737290430 585029862 /nfs/dbraw/zinc/02/98/62/585029862.db2.gz PKIUYAVJFXOJQI-YFKPBYRVSA-N -1 0 213.189 0.867 20 0 BCADRM CCn1cc(CNC(=O)CCNC(=O)[O-])cn1 ZINC000737301671 585029947 /nfs/dbraw/zinc/02/99/47/585029947.db2.gz XPMDNNSUUZZGRQ-UHFFFAOYSA-N -1 0 240.263 0.177 20 0 BCADRM CN(C(=O)C(C)(C)NC(=O)[O-])C1CC1 ZINC000737310672 585030158 /nfs/dbraw/zinc/03/01/58/585030158.db2.gz COJKLJFETMSPQS-UHFFFAOYSA-N -1 0 200.238 0.653 20 0 BCADRM CN(C)C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000737349748 585030840 /nfs/dbraw/zinc/03/08/40/585030840.db2.gz JTLNUJFDXOLNRC-VIFPVBQESA-N -1 0 244.291 0.624 20 0 BCADRM CN(CC(=O)Nc1ccc(Cl)nn1)C(=O)[O-] ZINC000737394651 585031380 /nfs/dbraw/zinc/03/13/80/585031380.db2.gz IFNVSNMYVNLNLE-UHFFFAOYSA-N -1 0 244.638 0.678 20 0 BCADRM CN(CC(=O)OCC(=O)[O-])C(=O)OC(C)(C)C ZINC000737406339 585031721 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587257568 /nfs/dbraw/zinc/25/75/68/587257568.db2.gz FHTPUZSSMVYWGG-QMMMGPOBSA-N -1 0 244.291 0.167 20 0 BCADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(C)(C)O ZINC000824137496 587257631 /nfs/dbraw/zinc/25/76/31/587257631.db2.gz SANNXFBHNUNQCJ-ZETCQYMHSA-N -1 0 232.280 0.166 20 0 BCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc[nH]1 ZINC000824137961 587257711 /nfs/dbraw/zinc/25/77/11/587257711.db2.gz XKJIJAODTWOGHY-SECBINFHSA-N -1 0 239.275 0.923 20 0 BCADRM CC(C)[C@@H](O)CNC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000824142408 587257826 /nfs/dbraw/zinc/25/78/26/587257826.db2.gz FQHUQJQNLBZOTA-DTWKUNHWSA-N -1 0 246.307 0.412 20 0 BCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H](O)C(C)C ZINC000824142411 587258117 /nfs/dbraw/zinc/25/81/17/587258117.db2.gz FQHUQJQNLBZOTA-RKDXNWHRSA-N -1 0 246.307 0.412 20 0 BCADRM CC(C)[C@@H](O)CNC(=O)CCCN(C)C(=O)[O-] ZINC000824149309 587258517 /nfs/dbraw/zinc/25/85/17/587258517.db2.gz FIWMRIQSDVRANT-VIFPVBQESA-N -1 0 246.307 0.510 20 0 BCADRM CC(C)CC(=O)COC(=O)CNC(=O)[O-] ZINC000824165514 587259095 /nfs/dbraw/zinc/25/90/95/587259095.db2.gz YOSZCLZLDMVKDT-UHFFFAOYSA-N -1 0 217.221 0.412 20 0 BCADRM CC(C)CC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000824170560 587259591 /nfs/dbraw/zinc/25/95/91/587259591.db2.gz PUBTUNHGHHQYMW-SECBINFHSA-N -1 0 243.259 0.897 20 0 BCADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N(C)C[C@H](C)O ZINC000824204367 587260149 /nfs/dbraw/zinc/26/01/49/587260149.db2.gz RCQJCAVKSQKJPD-DTWKUNHWSA-N -1 0 246.307 0.508 20 0 BCADRM CC(C)[C@H](O)CNc1cccc(-c2nn[nH]n2)n1 ZINC000824206439 587260607 /nfs/dbraw/zinc/26/06/07/587260607.db2.gz DRHBYQAAWKGXSO-SECBINFHSA-N -1 0 248.290 0.691 20 0 BCADRM CC(C)C[C@@H](O)CNC(=O)CCCNC(=O)[O-] ZINC000824219816 587260790 /nfs/dbraw/zinc/26/07/90/587260790.db2.gz XNCWIALHXTZYMP-SECBINFHSA-N -1 0 246.307 0.557 20 0 BCADRM CC(C)C[C@H](O)CNC(=O)CCNC(=O)[O-] ZINC000824216999 587260792 /nfs/dbraw/zinc/26/07/92/587260792.db2.gz BJOXWDBPNLYOQH-QMMMGPOBSA-N -1 0 232.280 0.167 20 0 BCADRM CC(C)CCNC(=O)NC1CN(C(=O)[O-])C1 ZINC000824239275 587262306 /nfs/dbraw/zinc/26/23/06/587262306.db2.gz SHFSAZYZIBDEJA-UHFFFAOYSA-N -1 0 229.280 0.694 20 0 BCADRM CC(C)COC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824269089 587264147 /nfs/dbraw/zinc/26/41/47/587264147.db2.gz VJWGLMRCHDJZEH-VIFPVBQESA-N -1 0 245.275 0.955 20 0 BCADRM CC(C)N(CCC(=O)N[C@@H](C)CO)C(=O)[O-] ZINC000824341933 587266949 /nfs/dbraw/zinc/26/69/49/587266949.db2.gz YRSMKARKZAUBGG-QMMMGPOBSA-N -1 0 232.280 0.262 20 0 BCADRM CC(C)NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000824367633 587267084 /nfs/dbraw/zinc/26/70/84/587267084.db2.gz GLQIDUOWKRIMRP-JGVFFNPUSA-N -1 0 214.265 0.947 20 0 BCADRM CC(C)NC(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824367373 587267853 /nfs/dbraw/zinc/26/78/53/587267853.db2.gz FXMHMXJTUFDCMI-SECBINFHSA-N -1 0 243.307 0.195 20 0 BCADRM CC(C)NC(=S)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824381258 587268583 /nfs/dbraw/zinc/26/85/83/587268583.db2.gz FTUARAZWERERQV-MRVPVSSYSA-N -1 0 245.348 0.953 20 0 BCADRM CC(C)OC(=O)COC1CN(C(=O)[O-])C1 ZINC000824394519 587269068 /nfs/dbraw/zinc/26/90/68/587269068.db2.gz SSIRQTHSXREOBX-UHFFFAOYSA-N -1 0 217.221 0.317 20 0 BCADRM C[C@@H](Cn1cnc(-c2nnn[n-]2)n1)C(F)(F)F ZINC000824464402 587271515 /nfs/dbraw/zinc/27/15/15/587271515.db2.gz GDNUNIURGAQZFZ-BYPYZUCNSA-N -1 0 247.184 0.657 20 0 BCADRM C[C@H](CC(=O)N(C)C[C@@H]1CCOC1)NC(=O)[O-] ZINC000824552208 587275704 /nfs/dbraw/zinc/27/57/04/587275704.db2.gz PGMPCGFKHZHLTC-BDAKNGLRSA-N -1 0 244.291 0.528 20 0 BCADRM C[C@@H](CC(=O)N(C)C1CC1)NC(=O)[O-] ZINC000824551802 587275705 /nfs/dbraw/zinc/27/57/05/587275705.db2.gz MNXJCNXXXTUHIO-LURJTMIESA-N -1 0 200.238 0.653 20 0 BCADRM C[C@@H](CC(=O)N1CCOC[C@H]1C)NC(=O)[O-] ZINC000824598659 587278755 /nfs/dbraw/zinc/27/87/55/587278755.db2.gz GKRLAHOGJBUDOE-JGVFFNPUSA-N -1 0 230.264 0.280 20 0 BCADRM C[C@@H](CC(=O)NC1CCC1)NC(=O)[O-] ZINC000824614840 587279390 /nfs/dbraw/zinc/27/93/90/587279390.db2.gz PLQICCGDQLNCCD-LURJTMIESA-N -1 0 200.238 0.701 20 0 BCADRM C[C@H](CC(=O)NC1CCC1)NC(=O)[O-] ZINC000824614841 587279337 /nfs/dbraw/zinc/27/93/37/587279337.db2.gz PLQICCGDQLNCCD-ZCFIWIBFSA-N -1 0 200.238 0.701 20 0 BCADRM CC(C)[C@@H](CCO)NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824614471 587279358 /nfs/dbraw/zinc/27/93/58/587279358.db2.gz JORFHZUSTWYCRB-RKDXNWHRSA-N -1 0 246.307 0.556 20 0 BCADRM C[C@H](CC(=O)N[C@H]1CCC[C@@H](O)C1)NC(=O)[O-] ZINC000824614701 587279423 /nfs/dbraw/zinc/27/94/23/587279423.db2.gz NBRPKEZRHLZLMK-HRDYMLBCSA-N -1 0 244.291 0.452 20 0 BCADRM CC(C)OC(=O)CNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824628708 587280151 /nfs/dbraw/zinc/28/01/51/587280151.db2.gz KIWNVUYPXSEKOS-SSDOTTSWSA-N -1 0 246.263 0.100 20 0 BCADRM C[C@@H](CC(=O)NCC1(C)COC1)NC(=O)[O-] ZINC000824630334 587280213 /nfs/dbraw/zinc/28/02/13/587280213.db2.gz VXRJVIZZZPPLJR-ZETCQYMHSA-N -1 0 230.264 0.185 20 0 BCADRM C[C@H](CC(=O)NCC(F)F)NC(=O)[O-] ZINC000824627904 587280291 /nfs/dbraw/zinc/28/02/91/587280291.db2.gz AQRLSBGYQDAQDJ-SCSAIBSYSA-N -1 0 210.180 0.414 20 0 BCADRM C[C@H](CC(=O)NC[C@@H](O)C(C)(C)C)NC(=O)[O-] ZINC000824627895 587280359 /nfs/dbraw/zinc/28/03/59/587280359.db2.gz AJOSWBCOLWSTKC-HTQZYQBOSA-N -1 0 246.307 0.556 20 0 BCADRM C[C@H](CC(=O)NCC(C)(C)CCO)NC(=O)[O-] ZINC000824629418 587280393 /nfs/dbraw/zinc/28/03/93/587280393.db2.gz PGCIUCCBSZNFAE-MRVPVSSYSA-N -1 0 246.307 0.557 20 0 BCADRM C[C@@H](CC(=O)NCCn1cccc1)NC(=O)[O-] ZINC000824653917 587281215 /nfs/dbraw/zinc/28/12/15/587281215.db2.gz BIGVOEBRMDCQHZ-VIFPVBQESA-N -1 0 239.275 0.651 20 0 BCADRM C[C@@H](CC(=O)NCc1ccco1)NC(=O)[O-] ZINC000824663713 587281773 /nfs/dbraw/zinc/28/17/73/587281773.db2.gz CYVLQHJFWLTARP-ZETCQYMHSA-N -1 0 226.232 0.942 20 0 BCADRM C[C@H](CC(=O)NO[C@H]1CCCCO1)NC(=O)[O-] ZINC000824679792 587282383 /nfs/dbraw/zinc/28/23/83/587282383.db2.gz NQRAUPSRYAJOSK-APPZFPTMSA-N -1 0 246.263 0.607 20 0 BCADRM C[C@@H](O)C[C@@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC000824698070 587283566 /nfs/dbraw/zinc/28/35/66/587283566.db2.gz ILXQJEZAGNRRDB-HTQZYQBOSA-N -1 0 248.290 0.833 20 0 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ZINC000825530576 587323809 /nfs/dbraw/zinc/32/38/09/587323809.db2.gz FFRJMYPZPFUVSM-SECBINFHSA-N -1 0 207.237 0.519 20 0 BCADRM CN(C(=O)[C@]12C[C@H]1COC21CCC1)c1nnn[n-]1 ZINC000825532131 587323849 /nfs/dbraw/zinc/32/38/49/587323849.db2.gz SRPIDVVJILEORH-CPCISQLKSA-N -1 0 249.274 0.122 20 0 BCADRM C[C@H](O)CNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000825528778 587323857 /nfs/dbraw/zinc/32/38/57/587323857.db2.gz SQWQFDFJIGNAFR-DJLDLDEBSA-N -1 0 244.291 0.310 20 0 BCADRM C[C@@H](O)CNC(=O)C1(NC(=O)[O-])CCCCC1 ZINC000825528943 587323956 /nfs/dbraw/zinc/32/39/56/587323956.db2.gz VZMPETQFRUBQNC-MRVPVSSYSA-N -1 0 244.291 0.454 20 0 BCADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N(C)c1nnn[n-]1 ZINC000825532544 587323966 /nfs/dbraw/zinc/32/39/66/587323966.db2.gz XFWLGSSGXNOMOG-BGZDPUMWSA-N -1 0 235.291 0.845 20 0 BCADRM O=C([N-]O[C@H]1CCCCO1)[C@H](O)C1CCC1 ZINC000825554177 587324845 /nfs/dbraw/zinc/32/48/45/587324845.db2.gz KXKPLIGNHWOPSC-VHSXEESVSA-N -1 0 229.276 0.722 20 0 BCADRM 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CC(=O)N(C)CC(=O)OC/C=C(/C)C(=O)[O-] ZINC000825819021 587340000 /nfs/dbraw/zinc/34/00/00/587340000.db2.gz AHZFHSHHYAHHRS-DAXSKMNVSA-N -1 0 229.232 0.039 20 0 BCADRM CC(=O)CSCC(=O)NCCCC(=O)[O-] ZINC000825814100 587340397 /nfs/dbraw/zinc/34/03/97/587340397.db2.gz YDYMOQLEWNLXCF-UHFFFAOYSA-N -1 0 233.289 0.290 20 0 BCADRM CC(=O)[C@@H](C)OC(=O)[C@H](C)CC(=O)[O-] ZINC000825809284 587340468 /nfs/dbraw/zinc/34/04/68/587340468.db2.gz RGXNPRKPGZWMOH-IYSWYEEDSA-N -1 0 202.206 0.618 20 0 BCADRM C[C@H]1CC[C@@H](C(=O)OCCN(C)C(=O)[O-])O1 ZINC000825867848 587340661 /nfs/dbraw/zinc/34/06/61/587340661.db2.gz XYBJBSUFXPYBIK-YUMQZZPRSA-N -1 0 231.248 0.707 20 0 BCADRM C[C@H]1CC[C@H](C(=O)OCCCNC(=O)[O-])O1 ZINC000825866233 587340731 /nfs/dbraw/zinc/34/07/31/587340731.db2.gz OPCUZMYFDDOOHH-JGVFFNPUSA-N -1 0 231.248 0.755 20 0 BCADRM CC(=O)N1CCN(C/C=C(/C)C(=O)[O-])[C@@H](C)C1 ZINC000825840969 587341207 /nfs/dbraw/zinc/34/12/07/587341207.db2.gz NQBIQUSFSURNPP-FWAPLPHYSA-N -1 0 240.303 0.570 20 0 BCADRM 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587346823 /nfs/dbraw/zinc/34/68/23/587346823.db2.gz KDMPKPXBEJWXBT-SSDOTTSWSA-N -1 0 227.264 0.400 20 0 BCADRM C[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](C)[C@@H]1C ZINC000825944212 587346928 /nfs/dbraw/zinc/34/69/28/587346928.db2.gz LKJBQDVHYFAOTF-RNJXMRFFSA-N -1 0 214.265 0.899 20 0 BCADRM C[C@H]1CCN1C(=O)NC1CN(C(=O)[O-])C1 ZINC000825954729 587346987 /nfs/dbraw/zinc/34/69/87/587346987.db2.gz AGZKDPADVFSLBI-LURJTMIESA-N -1 0 213.237 0.152 20 0 BCADRM C[C@H]1CN(C(=O)C2(NC(=O)[O-])CC2)C[C@H](C)O1 ZINC000825970946 587347523 /nfs/dbraw/zinc/34/75/23/587347523.db2.gz XZYCXQXYNKGXDV-YUMQZZPRSA-N -1 0 242.275 0.422 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000825969317 587347540 /nfs/dbraw/zinc/34/75/40/587347540.db2.gz OQMHKXDXYBXIBG-PRJMDXOYSA-N -1 0 246.332 0.995 20 0 BCADRM C[C@H]1CN(C(=O)CN(C)C(=O)[O-])C[C@H](C)S1 ZINC000825984197 587347635 /nfs/dbraw/zinc/34/76/35/587347635.db2.gz VUCAVCJCZYTXGH-YUMQZZPRSA-N -1 0 246.332 0.949 20 0 BCADRM C[C@H]1CN(C(=O)CCNC(=O)[O-])C[C@@H]1C ZINC000825983000 587347666 /nfs/dbraw/zinc/34/76/66/587347666.db2.gz FZWGFHFIBZLFQK-YUMQZZPRSA-N -1 0 214.265 0.759 20 0 BCADRM C[C@@H]1CN(C(=O)NCC2CC2)CCN1C(=O)[O-] ZINC000825995368 587347909 /nfs/dbraw/zinc/34/79/09/587347909.db2.gz GSDCFOAHKRYGCU-MRVPVSSYSA-N -1 0 241.291 0.790 20 0 BCADRM C[C@H]1CN(C(=O)NCCCNC(=O)[O-])C[C@@H]1C ZINC000825999800 587348255 /nfs/dbraw/zinc/34/82/55/587348255.db2.gz BUHLCOCXNKIEFT-IUCAKERBSA-N -1 0 243.307 0.942 20 0 BCADRM C[C@@H]1CN(C(=O)[O-])CC[N@@H+]1CCC(C)(C)O ZINC000826027844 587348604 /nfs/dbraw/zinc/34/86/04/587348604.db2.gz XREBYVQSLLMABJ-SECBINFHSA-N -1 0 230.308 0.832 20 0 BCADRM Cc1cn(C)nc1NC(=O)NOC(C)(C)CO ZINC000826029714 587348866 /nfs/dbraw/zinc/34/88/66/587348866.db2.gz JQGAVZWKIBDUFE-UHFFFAOYSA-N -1 0 242.279 0.553 20 0 BCADRM C[C@H]1COCCCN1C(=O)CN(C)C(=O)[O-] ZINC000826087111 587350529 /nfs/dbraw/zinc/35/05/29/587350529.db2.gz HXFRYWAATSQWOO-QMMMGPOBSA-N -1 0 230.264 0.234 20 0 BCADRM C[C@@H]1CN(c2cccnn2)CC[C@H]1NC(=O)[O-] ZINC000826083156 587350706 /nfs/dbraw/zinc/35/07/06/587350706.db2.gz YQRBDBKIZHDDCZ-RKDXNWHRSA-N -1 0 236.275 0.959 20 0 BCADRM C[C@@H]1[C@H](C)OCCN1C(=O)CCCNC(=O)[O-] ZINC000826133616 587351072 /nfs/dbraw/zinc/35/10/72/587351072.db2.gz PIRKQLSXUMAPDF-BDAKNGLRSA-N -1 0 244.291 0.670 20 0 BCADRM C[C@H]1OCCN(C(=O)CCNC(=O)[O-])[C@@H]1C ZINC000826134662 587351365 /nfs/dbraw/zinc/35/13/65/587351365.db2.gz YUMQJKJVCXCYDM-HTQZYQBOSA-N -1 0 230.264 0.280 20 0 BCADRM Cc1ccc2c(n1)c(=O)c(-c1nnn[n-]1)cn2C ZINC000826293955 587352100 /nfs/dbraw/zinc/35/21/00/587352100.db2.gz FSVFRYHMBUFDDM-UHFFFAOYSA-N -1 0 242.242 0.422 20 0 BCADRM O=C1OCC[C@@H]1CCn1ccnc1-c1nn[nH]n1 ZINC000826483103 587352857 /nfs/dbraw/zinc/35/28/57/587352857.db2.gz BBRAFCXJTURMMV-ZETCQYMHSA-N -1 0 248.246 0.016 20 0 BCADRM O=c1c(-c2nnn[n-]2)cccn1CC1CCC1 ZINC000826501459 587353348 /nfs/dbraw/zinc/35/33/48/587353348.db2.gz QZVKKPKWUGAQSW-UHFFFAOYSA-N -1 0 231.259 0.829 20 0 BCADRM CC(C)(CNC(=O)Nc1cccnn1)C(=O)[O-] ZINC000826590299 587355921 /nfs/dbraw/zinc/35/59/21/587355921.db2.gz IENXRJXHSNORDZ-UHFFFAOYSA-N -1 0 238.247 0.709 20 0 BCADRM CC[C@@H](NC(=O)C[C@H](C)NC(=O)[O-])C(=O)OC ZINC000826593955 587356002 /nfs/dbraw/zinc/35/60/02/587356002.db2.gz SBTKIXXDUAQLJF-NKWVEPMBSA-N -1 0 246.263 0.100 20 0 BCADRM CC[C@H](O)CCNC(=O)NCCCNC(=O)[O-] ZINC000826625899 587356850 /nfs/dbraw/zinc/35/68/50/587356850.db2.gz LTZQEUHFYWSSKI-QMMMGPOBSA-N -1 0 247.295 0.104 20 0 BCADRM CC[C@H](O)CCCNC(=O)CCNC(=O)[O-] ZINC000826626746 587356860 /nfs/dbraw/zinc/35/68/60/587356860.db2.gz XZCSKJZAILNUQU-QMMMGPOBSA-N -1 0 232.280 0.311 20 0 BCADRM CC[C@H](O)CCNC(=O)CC(C)(C)NC(=O)[O-] ZINC000826625862 587357001 /nfs/dbraw/zinc/35/70/01/587357001.db2.gz LHSYEORHDNTRKM-QMMMGPOBSA-N -1 0 246.307 0.700 20 0 BCADRM CC[C@@H](O)CCCNC(=O)C(C)(C)NC(=O)[O-] ZINC000826627028 587357296 /nfs/dbraw/zinc/35/72/96/587357296.db2.gz ZWEAXMKTEJQKGW-MRVPVSSYSA-N -1 0 246.307 0.700 20 0 BCADRM CCn1cc(CC(=O)[N-]OCC2CCC2)nn1 ZINC000826627446 587357326 /nfs/dbraw/zinc/35/73/26/587357326.db2.gz IHVSXIMYMXBZDR-UHFFFAOYSA-N -1 0 238.291 0.688 20 0 BCADRM CC[C@@H](OC)C(=O)OC[C@H](C)NC(=O)[O-] ZINC000826632103 587357346 /nfs/dbraw/zinc/35/73/46/587357346.db2.gz PZXABEFAOKMFPJ-NKWVEPMBSA-N -1 0 219.237 0.611 20 0 BCADRM CC[C@H]1CCN(C(=O)[C@H](C)NC(=O)[O-])C1 ZINC000826675611 587358786 /nfs/dbraw/zinc/35/87/86/587358786.db2.gz NSFVSRLUWNRGBM-YUMQZZPRSA-N -1 0 214.265 0.901 20 0 BCADRM CC[C@H]1CCN(C(=O)NCCNC(=O)[O-])C1 ZINC000826675641 587358819 /nfs/dbraw/zinc/35/88/19/587358819.db2.gz OFTNXBVUPWELRW-QMMMGPOBSA-N -1 0 229.280 0.696 20 0 BCADRM CC[C@H]1CCN(C(=O)[C@@H](C)NC(=O)[O-])C1 ZINC000826675610 587358913 /nfs/dbraw/zinc/35/89/13/587358913.db2.gz NSFVSRLUWNRGBM-SFYZADRCSA-N -1 0 214.265 0.901 20 0 BCADRM CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H](C)NC(=O)[O-] ZINC000826692043 587359317 /nfs/dbraw/zinc/35/93/17/587359317.db2.gz ZFUHVPZWMRBPCP-DJLDLDEBSA-N -1 0 244.291 0.668 20 0 BCADRM CCCC(=O)COC(=O)C[C@@H](C)NC(=O)[O-] ZINC000826700319 587359494 /nfs/dbraw/zinc/35/94/94/587359494.db2.gz OUZZUZMCPSBMDE-SSDOTTSWSA-N -1 0 231.248 0.945 20 0 BCADRM CCCC(=O)COC(=O)C[C@H](C)NC(=O)[O-] ZINC000826700320 587359576 /nfs/dbraw/zinc/35/95/76/587359576.db2.gz OUZZUZMCPSBMDE-ZETCQYMHSA-N -1 0 231.248 0.945 20 0 BCADRM CC(C)[C@H](NC(=O)c1cc(CO)on1)C(=O)[O-] ZINC000826710267 587359631 /nfs/dbraw/zinc/35/96/31/587359631.db2.gz DOVKLACNUUIZNL-QMMMGPOBSA-N -1 0 242.231 0.006 20 0 BCADRM CCC[C@](C)(NC(=O)[O-])C(=O)NCC(C)(C)O ZINC000826721543 587359965 /nfs/dbraw/zinc/35/99/65/587359965.db2.gz SNKPTOAVJWOIGF-NSHDSACASA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@](C)(NC(=O)[O-])C(=O)OCCCO ZINC000826720748 587360028 /nfs/dbraw/zinc/36/00/28/587360028.db2.gz LRSYYZDUDJPPRR-JTQLQIEISA-N -1 0 233.264 0.738 20 0 BCADRM CCC[C@@](C)(O)CNC(=O)CN(CC)C(=O)[O-] ZINC000826727681 587360149 /nfs/dbraw/zinc/36/01/49/587360149.db2.gz GHYUKTOXTIYDRE-LLVKDONJSA-N -1 0 246.307 0.654 20 0 BCADRM CCC[C@@](C)(O)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000826728302 587360162 /nfs/dbraw/zinc/36/01/62/587360162.db2.gz LUVQCBOWJLHSLM-GZMMTYOYSA-N -1 0 244.291 0.406 20 0 BCADRM CCC[C@@](C)(O)CNC(=O)C[C@H](C)NC(=O)[O-] ZINC000826729744 587360303 /nfs/dbraw/zinc/36/03/03/587360303.db2.gz UMMMXFGJPDXJRV-GZMMTYOYSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@H](NC(=O)[O-])C(=O)NC[C@H](C)CCO ZINC000826749824 587361087 /nfs/dbraw/zinc/36/10/87/587361087.db2.gz BTQYYHWQSGJWNR-BDAKNGLRSA-N -1 0 246.307 0.557 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N[C@H](C)C(C)(C)O ZINC000826752580 587361112 /nfs/dbraw/zinc/36/11/12/587361112.db2.gz XLNCIEOMBFGJKS-HTQZYQBOSA-N -1 0 246.307 0.698 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NCC[C@H](O)CC ZINC000826751645 587361133 /nfs/dbraw/zinc/36/11/33/587361133.db2.gz PDUUNLORKJJUKH-RKDXNWHRSA-N -1 0 246.307 0.700 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](O)C1 ZINC000826750071 587361168 /nfs/dbraw/zinc/36/11/68/587361168.db2.gz GENVSUVBIULQNY-JGVFFNPUSA-N -1 0 230.264 0.016 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)NC[C@H](C)CCO ZINC000826749827 587361266 /nfs/dbraw/zinc/36/12/66/587361266.db2.gz BTQYYHWQSGJWNR-RKDXNWHRSA-N -1 0 246.307 0.557 20 0 BCADRM CCC[C@@H](NC(=O)[O-])C(=O)OCC(C)=O ZINC000826757698 587361340 /nfs/dbraw/zinc/36/13/40/587361340.db2.gz HSHCSKPJMKNHDQ-SSDOTTSWSA-N -1 0 217.221 0.555 20 0 BCADRM CCC[C@H]1C[C@@H]1NC(=O)COCCNC(=O)[O-] ZINC000826774979 587361815 /nfs/dbraw/zinc/36/18/15/587361815.db2.gz MSNACSVXCWLNOM-IUCAKERBSA-N -1 0 244.291 0.575 20 0 BCADRM CCC[C@@H]1C[C@H]1NC(=O)COCCNC(=O)[O-] ZINC000826774980 587361846 /nfs/dbraw/zinc/36/18/46/587361846.db2.gz MSNACSVXCWLNOM-RKDXNWHRSA-N -1 0 244.291 0.575 20 0 BCADRM CCC[C@@H]1C[C@@H]1NC(=O)CCNC(=O)[O-] ZINC000826774861 587361960 /nfs/dbraw/zinc/36/19/60/587361960.db2.gz KRATZIWDDKIUCB-SFYZADRCSA-N -1 0 214.265 0.949 20 0 BCADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)COC ZINC000826780293 587362095 /nfs/dbraw/zinc/36/20/95/587362095.db2.gz GKFMEVOJXOPASY-QMMMGPOBSA-N -1 0 232.280 0.575 20 0 BCADRM CCCC[C@H](CNC(=O)[O-])NC(=O)COC ZINC000826780292 587362231 /nfs/dbraw/zinc/36/22/31/587362231.db2.gz GKFMEVOJXOPASY-MRVPVSSYSA-N -1 0 232.280 0.575 20 0 BCADRM CC(C)C[C@H](O)CNC(=O)[C@@H](C)CC(=O)[O-] ZINC000826806062 587362997 /nfs/dbraw/zinc/36/29/97/587362997.db2.gz CVZGYNNOPAPYRU-IUCAKERBSA-N -1 0 231.292 0.620 20 0 BCADRM CCCCCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826826630 587363436 /nfs/dbraw/zinc/36/34/36/587363436.db2.gz VADUTNGMSWESGL-VIFPVBQESA-N -1 0 244.291 0.672 20 0 BCADRM CCCN(C(=O)NC1CN(C(=O)[O-])C1)C1CC1 ZINC000826872342 587364458 /nfs/dbraw/zinc/36/44/58/587364458.db2.gz WZQDWKGVCBBQCE-UHFFFAOYSA-N -1 0 241.291 0.933 20 0 BCADRM CCCN(CC)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000826903572 587364947 /nfs/dbraw/zinc/36/49/47/587364947.db2.gz KUIXSEPTGLGHED-RKDXNWHRSA-N -1 0 244.291 0.358 20 0 BCADRM CCCNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000826921447 587365623 /nfs/dbraw/zinc/36/56/23/587365623.db2.gz NPCCDRCILTXHSU-SECBINFHSA-N -1 0 218.228 0.605 20 0 BCADRM CCCOC(=O)[C@@H](C)OC(=O)CNC(=O)[O-] ZINC000826931957 587365811 /nfs/dbraw/zinc/36/58/11/587365811.db2.gz ZXZFJMMJGPITFQ-ZCFIWIBFSA-N -1 0 233.220 0.139 20 0 BCADRM CCCNC(=S)NCC(C)(C)NC(=O)[O-] ZINC000826931455 587365832 /nfs/dbraw/zinc/36/58/32/587365832.db2.gz PHFHLSGKOUSRQP-UHFFFAOYSA-N -1 0 233.337 0.907 20 0 BCADRM CCCOC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826931949 587365899 /nfs/dbraw/zinc/36/58/99/587365899.db2.gz ZSFDEINOHRZJRZ-MRVPVSSYSA-N -1 0 231.248 0.709 20 0 BCADRM CCCNC(=O)CN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000826925957 587365993 /nfs/dbraw/zinc/36/59/93/587365993.db2.gz PFQIZMFXKCYSFB-VIFPVBQESA-N -1 0 243.307 0.197 20 0 BCADRM CCCOCC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000826934972 587366014 /nfs/dbraw/zinc/36/60/14/587366014.db2.gz JLNWZSUVCJVCHT-SECBINFHSA-N -1 0 244.291 0.624 20 0 BCADRM CC(C)OC(=O)CCNC(=O)[C@H](C)CC(=O)[O-] ZINC000826990659 587367268 /nfs/dbraw/zinc/36/72/68/587367268.db2.gz XEDIZGKUDJGGEI-MRVPVSSYSA-N -1 0 245.275 0.555 20 0 BCADRM CCN(CC(=O)N1CCCOC[C@@H]1C)C(=O)[O-] ZINC000826996634 587367410 /nfs/dbraw/zinc/36/74/10/587367410.db2.gz FXPBZELENHEIFT-VIFPVBQESA-N -1 0 244.291 0.624 20 0 BCADRM CCN(CC(=O)NC[C@@H](O)C(C)(C)C)C(=O)[O-] ZINC000827002431 587367708 /nfs/dbraw/zinc/36/77/08/587367708.db2.gz LVUGDINWSCTDLK-MRVPVSSYSA-N -1 0 246.307 0.510 20 0 BCADRM CCN(CC(=O)NC[C@H](C)CCO)C(=O)[O-] ZINC000827001861 587367712 /nfs/dbraw/zinc/36/77/12/587367712.db2.gz DZDCFQHJYPUMOB-MRVPVSSYSA-N -1 0 232.280 0.121 20 0 BCADRM CCN(CC(=O)N[C@H]1CCC[C@H](O)C1)C(=O)[O-] ZINC000827002293 587367766 /nfs/dbraw/zinc/36/77/66/587367766.db2.gz KWRRUKDMGBGFTM-IUCAKERBSA-N -1 0 244.291 0.406 20 0 BCADRM CCN(CC(=O)NC[C@@H]1CCCS1)C(=O)[O-] ZINC000827002750 587367772 /nfs/dbraw/zinc/36/77/72/587367772.db2.gz RQTDWKXFHFGIMG-QMMMGPOBSA-N -1 0 246.332 0.998 20 0 BCADRM CCN(CC(=O)NC[C@H]1CCC[C@@H]1O)C(=O)[O-] ZINC000827002924 587367799 /nfs/dbraw/zinc/36/77/99/587367799.db2.gz WZENABIHRCGOIT-BDAKNGLRSA-N -1 0 244.291 0.264 20 0 BCADRM CCN(CC(=O)NC[C@]1(C)CCCO1)C(=O)[O-] ZINC000827002446 587367811 /nfs/dbraw/zinc/36/78/11/587367811.db2.gz MDAYHOUNXBOXLO-NSHDSACASA-N -1 0 244.291 0.672 20 0 BCADRM CCN(CC(=O)N[C@H]1CCSC1)C(=O)[O-] ZINC000827001913 587367863 /nfs/dbraw/zinc/36/78/63/587367863.db2.gz FZYVUXPQNYQXKG-ZETCQYMHSA-N -1 0 232.305 0.608 20 0 BCADRM CCN(CC(=O)N[C@H](C)CCCO)C(=O)[O-] ZINC000827001830 587367926 /nfs/dbraw/zinc/36/79/26/587367926.db2.gz DKWVLSBWQZIDBY-MRVPVSSYSA-N -1 0 232.280 0.264 20 0 BCADRM CCN(CC(=O)Nc1nocc1C)C(=O)[O-] ZINC000827014660 587368027 /nfs/dbraw/zinc/36/80/27/587368027.db2.gz OJWPWOUFHKHKEU-UHFFFAOYSA-N -1 0 227.220 0.921 20 0 BCADRM CC(C)OC[C@@H](C(=O)[O-])N(C)CCF ZINC000827016752 587368106 /nfs/dbraw/zinc/36/81/06/587368106.db2.gz RFNCFAXXTRGICL-QMMMGPOBSA-N -1 0 207.245 0.766 20 0 BCADRM CCN(CC)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827024066 587368218 /nfs/dbraw/zinc/36/82/18/587368218.db2.gz DMQJGTDOVLMMJD-SECBINFHSA-N -1 0 244.291 0.624 20 0 BCADRM CCN(CC)C(=O)C[C@@H](C)NC(=O)[O-] ZINC000827024837 587368351 /nfs/dbraw/zinc/36/83/51/587368351.db2.gz LJTUOWKCYRFHKA-SSDOTTSWSA-N -1 0 202.254 0.901 20 0 BCADRM CCN(CCNC(=O)Cc1ccco1)C(=O)[O-] ZINC000827135075 587370665 /nfs/dbraw/zinc/37/06/65/587370665.db2.gz WKHQRROZKGIEOM-UHFFFAOYSA-N -1 0 240.259 0.938 20 0 BCADRM CCN(CCNC(=O)[C@H]1CCCS1)C(=O)[O-] ZINC000827134970 587370784 /nfs/dbraw/zinc/37/07/84/587370784.db2.gz RFDFMAJNJWRVTI-MRVPVSSYSA-N -1 0 246.332 0.998 20 0 BCADRM CCN(CCNS(=O)(=O)C1CC1)C(=O)[O-] ZINC000827151343 587371268 /nfs/dbraw/zinc/37/12/68/587371268.db2.gz YDNCVDLHFPEWPE-UHFFFAOYSA-N -1 0 236.293 0.068 20 0 BCADRM CCN(CCO)C(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000827156674 587371697 /nfs/dbraw/zinc/37/16/97/587371697.db2.gz KDKTVLKGWMEZNI-VIFPVBQESA-N -1 0 244.291 0.360 20 0 BCADRM CCN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000827200773 587372587 /nfs/dbraw/zinc/37/25/87/587372587.db2.gz UXTKTAANXLMPKS-UHFFFAOYSA-N -1 0 241.247 0.071 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H](O)C1 ZINC000827255867 587373508 /nfs/dbraw/zinc/37/35/08/587373508.db2.gz HFCPOSAWJJADDA-YUMQZZPRSA-N -1 0 215.249 0.081 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N(C)CC(F)F ZINC000827241145 587373793 /nfs/dbraw/zinc/37/37/93/587373793.db2.gz RLJQDRPXWNOTLT-RXMQYKEDSA-N -1 0 209.192 0.821 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CCC(CO)CC1 ZINC000827246826 587373850 /nfs/dbraw/zinc/37/38/50/587373850.db2.gz FLDXGBCBWUNUSV-MRVPVSSYSA-N -1 0 229.276 0.328 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC(CO)CC1 ZINC000827246827 587373948 /nfs/dbraw/zinc/37/39/48/587373948.db2.gz FLDXGBCBWUNUSV-QMMMGPOBSA-N -1 0 229.276 0.328 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N(C)Cc1cnn(C)c1 ZINC000827247482 587373955 /nfs/dbraw/zinc/37/39/55/587373955.db2.gz NBNUNLOODVHPLO-MRVPVSSYSA-N -1 0 239.275 0.489 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000827258123 587374326 /nfs/dbraw/zinc/37/43/26/587374326.db2.gz WRVQMUHDBDCUJF-JOYOIKCWSA-N -1 0 241.287 0.736 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CCN(C)[C@@H](C)C1 ZINC000827262400 587374348 /nfs/dbraw/zinc/37/43/48/587374348.db2.gz IMYSYOLDQMIIQK-BDAKNGLRSA-N -1 0 228.292 0.260 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CCC2(C1)OCCO2 ZINC000827257843 587374440 /nfs/dbraw/zinc/37/44/40/587374440.db2.gz TUMUHQKUBKIJSS-MRVPVSSYSA-N -1 0 243.259 0.073 20 0 BCADRM CCNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000827256727 587374459 /nfs/dbraw/zinc/37/44/59/587374459.db2.gz QNUWIYSRZZFOOB-JGVFFNPUSA-N -1 0 229.280 0.742 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)N1CCN(C2CC2)CC1 ZINC000827261886 587374476 /nfs/dbraw/zinc/37/44/76/587374476.db2.gz CHJNPNZBLYVXCH-VIFPVBQESA-N -1 0 240.303 0.404 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N1CCc2cncnc2C1 ZINC000827261742 587374523 /nfs/dbraw/zinc/37/45/23/587374523.db2.gz AWZDGBKVLFFEKK-MRVPVSSYSA-N -1 0 249.270 0.472 20 0 BCADRM CCNC(=S)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000827266552 587374731 /nfs/dbraw/zinc/37/47/31/587374731.db2.gz UOUZAVQZBZQURU-SSDOTTSWSA-N -1 0 231.321 0.565 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)C(C)(C)O ZINC000827274932 587374950 /nfs/dbraw/zinc/37/49/50/587374950.db2.gz YOKBCRUQBAOKCN-RQJHMYQMSA-N -1 0 217.265 0.373 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000827273403 587374997 /nfs/dbraw/zinc/37/49/97/587374997.db2.gz SJYSFKQXQGXTME-HRDYMLBCSA-N -1 0 229.276 0.517 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000827273405 587375039 /nfs/dbraw/zinc/37/50/39/587375039.db2.gz SJYSFKQXQGXTME-VGMNWLOBSA-N -1 0 229.276 0.517 20 0 BCADRM CCOC(=O)[C@@H](C)OC(=O)C[C@H](C)NC(=O)[O-] ZINC000827281436 587375158 /nfs/dbraw/zinc/37/51/58/587375158.db2.gz BOQFXTKGAYAPIZ-NKWVEPMBSA-N -1 0 247.247 0.527 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000827291114 587375398 /nfs/dbraw/zinc/37/53/98/587375398.db2.gz HXSHNTMROJHYHC-KXUCPTDWSA-N -1 0 243.303 0.765 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NCCOC1CCC1 ZINC000827290108 587375486 /nfs/dbraw/zinc/37/54/86/587375486.db2.gz CSFQQJMKHACTGS-MRVPVSSYSA-N -1 0 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211.221 0.137 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)NCc1cc[nH]n1 ZINC000827295843 587376159 /nfs/dbraw/zinc/37/61/59/587376159.db2.gz OVKSNMIEDDGVGY-LURJTMIESA-N -1 0 211.221 0.137 20 0 BCADRM C[C@H](CC(=O)[O-])C(=O)NCc1nccs1 ZINC000827304542 587376278 /nfs/dbraw/zinc/37/62/78/587376278.db2.gz XHSNHQXFARQDHI-ZCFIWIBFSA-N -1 0 228.273 0.870 20 0 BCADRM CCOC(=O)CN(C)CC(C)(C)CNC(=O)[O-] ZINC000827312708 587376492 /nfs/dbraw/zinc/37/64/92/587376492.db2.gz HWWHJDPDXYYTJO-UHFFFAOYSA-N -1 0 246.307 0.775 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(=O)n(C)c1 ZINC000827310383 587376666 /nfs/dbraw/zinc/37/66/66/587376666.db2.gz IKXYKDNILWFZDG-ZETCQYMHSA-N -1 0 238.243 0.435 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccnc2ccnn21 ZINC000827317045 587376855 /nfs/dbraw/zinc/37/68/55/587376855.db2.gz IDRNRVJYOQPDBD-ZETCQYMHSA-N -1 0 248.242 0.779 20 0 BCADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc[nH]c1=O ZINC000827318342 587376923 /nfs/dbraw/zinc/37/69/23/587376923.db2.gz UYGXGXDDKNOAHY-LURJTMIESA-N -1 0 224.216 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587452037 /nfs/dbraw/zinc/45/20/37/587452037.db2.gz IZRVIMOIMFXYJG-XVKPBYJWSA-N -1 0 233.239 0.437 20 0 BCADRM COC(=O)/C(C)=C/COC(=O)CCNC(=O)[O-] ZINC000828600211 587452724 /nfs/dbraw/zinc/45/27/24/587452724.db2.gz IEQSYTHWKDGNLJ-QPJJXVBHSA-N -1 0 245.231 0.307 20 0 BCADRM COC(=O)/C(C)=C\COC(=O)[C@@H](C)NC(=O)[O-] ZINC000828601443 587452874 /nfs/dbraw/zinc/45/28/74/587452874.db2.gz PMGLTVJNMMEGBW-FXXDRWHHSA-N -1 0 245.231 0.305 20 0 BCADRM COC(=O)/C(C)=C\CN1CCN(C(=O)[O-])CC1 ZINC000828602591 587452919 /nfs/dbraw/zinc/45/29/19/587452919.db2.gz WSJDUEIVHDCBCL-OQFOIZHKSA-N -1 0 242.275 0.401 20 0 BCADRM COC(=O)[C@H](COC(C)C)N(C)C(=O)[O-] ZINC000828606560 587453457 /nfs/dbraw/zinc/45/34/57/587453457.db2.gz BMYMHSLPEFQYRV-ZETCQYMHSA-N -1 0 219.237 0.563 20 0 BCADRM COC(=O)[C@@H](C)OC(=O)C[C@@H](C)NC(=O)[O-] ZINC000828606436 587453495 /nfs/dbraw/zinc/45/34/95/587453495.db2.gz AYDMWVKDDZBDBT-PHDIDXHHSA-N -1 0 233.220 0.137 20 0 BCADRM CC[C@](C)(CC(=O)[O-])NC(=O)C1=COCCO1 ZINC000828618150 587453864 /nfs/dbraw/zinc/45/38/64/587453864.db2.gz QEKQGSRAVCEPDD-LLVKDONJSA-N -1 0 243.259 0.634 20 0 BCADRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CC1CC1 ZINC000828672953 587456505 /nfs/dbraw/zinc/45/65/05/587456505.db2.gz YNRIOPFICZJEDQ-JTQLQIEISA-N -1 0 249.332 0.959 20 0 BCADRM COC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828713920 587456891 /nfs/dbraw/zinc/45/68/91/587456891.db2.gz MJDZEDASVFTAOF-RQJHMYQMSA-N -1 0 232.236 0.110 20 0 BCADRM COC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828682971 587456894 /nfs/dbraw/zinc/45/68/94/587456894.db2.gz DHJFAQYHBOTHJP-ZETCQYMHSA-N -1 0 217.221 0.318 20 0 BCADRM CC[C@](C)(CC(=O)OC)NC(=O)CCC(=O)[O-] ZINC000828677514 587457109 /nfs/dbraw/zinc/45/71/09/587457109.db2.gz LNFGDMKSHSADTQ-LLVKDONJSA-N -1 0 245.275 0.699 20 0 BCADRM COC(=O)COC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828688396 587457485 /nfs/dbraw/zinc/45/74/85/587457485.db2.gz IOBJHSRZPXZWJT-RQJHMYQMSA-N -1 0 245.231 0.139 20 0 BCADRM CC[C@H](C)C(=O)COC(=O)CNC(=O)[O-] ZINC000828700675 587457774 /nfs/dbraw/zinc/45/77/74/587457774.db2.gz QORCTNZPWYXERQ-LURJTMIESA-N -1 0 217.221 0.412 20 0 BCADRM CC[C@H](C)C(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000828700021 587457840 /nfs/dbraw/zinc/45/78/40/587457840.db2.gz FFXRDACFOSWSAJ-RNJXMRFFSA-N -1 0 228.244 0.866 20 0 BCADRM CC[C@@H](C)C(=O)COC(=O)CN(C)C(=O)[O-] ZINC000828700037 587457946 /nfs/dbraw/zinc/45/79/46/587457946.db2.gz FNGOZZIBHCXGRK-SSDOTTSWSA-N -1 0 231.248 0.755 20 0 BCADRM CC[C@H](C)NC(=O)COC(=O)[C@@H](C)CC(=O)[O-] ZINC000828758704 587459090 /nfs/dbraw/zinc/45/90/90/587459090.db2.gz NPVBOYBGJZQOTL-YUMQZZPRSA-N -1 0 245.275 0.555 20 0 BCADRM COC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828817906 587463799 /nfs/dbraw/zinc/46/37/99/587463799.db2.gz PXFPCBDVHYQOTK-QMMMGPOBSA-N -1 0 244.291 0.622 20 0 BCADRM COC(C)(C)CN(C)C(=O)[C@@H](C)NC(=O)[O-] ZINC000828817860 587464003 /nfs/dbraw/zinc/46/40/03/587464003.db2.gz OUDCZMXONXQOPV-SSDOTTSWSA-N -1 0 232.280 0.526 20 0 BCADRM CO[C@H](C)COC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000828823425 587464303 /nfs/dbraw/zinc/46/43/03/587464303.db2.gz AUCPRIWFRKXOIE-JGVFFNPUSA-N -1 0 233.264 0.810 20 0 BCADRM CO[C@@H](C)COC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828823426 587464361 /nfs/dbraw/zinc/46/43/61/587464361.db2.gz AUCPRIWFRKXOIE-SFYZADRCSA-N -1 0 233.264 0.810 20 0 BCADRM CCOCCO[N-]C(=O)[C@@H]1CC1(F)F ZINC000828822278 587464417 /nfs/dbraw/zinc/46/44/17/587464417.db2.gz GRMUROORNVQOSU-LURJTMIESA-N -1 0 209.192 0.726 20 0 BCADRM CO[C@@H](C)CCNC(=O)C[C@H](C)NC(=O)[O-] ZINC000828823986 587464602 /nfs/dbraw/zinc/46/46/02/587464602.db2.gz MDWDBPBEVAUBAW-YUMQZZPRSA-N -1 0 232.280 0.574 20 0 BCADRM CO[C@@H](C)COC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828824540 587464738 /nfs/dbraw/zinc/46/47/38/587464738.db2.gz RVNVJPBIRGRJFK-GZMMTYOYSA-N -1 0 245.275 0.955 20 0 BCADRM CO[C@@H](C)C(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828824728 587464880 /nfs/dbraw/zinc/46/48/80/587464880.db2.gz TZAKKTTZKGKMJQ-YUMQZZPRSA-N -1 0 230.264 0.232 20 0 BCADRM CO[C@H](C)COC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828824543 587464886 /nfs/dbraw/zinc/46/48/86/587464886.db2.gz RVNVJPBIRGRJFK-LDYMZIIASA-N -1 0 245.275 0.955 20 0 BCADRM CO[C@@H](C)COC(=O)CN(C)C(=O)[O-] ZINC000828829801 587465081 /nfs/dbraw/zinc/46/50/81/587465081.db2.gz GFIFVIWHJQFVQV-LURJTMIESA-N -1 0 205.210 0.174 20 0 BCADRM CO[C@@H](C)COC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828829402 587465100 /nfs/dbraw/zinc/46/51/00/587465100.db2.gz FNTHYVSMWFVSTE-DTWKUNHWSA-N -1 0 245.275 0.955 20 0 BCADRM CO[C@@H](C)COC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000828829854 587465185 /nfs/dbraw/zinc/46/51/85/587465185.db2.gz HCWXXMHLXCUKND-NKWVEPMBSA-N -1 0 249.288 0.617 20 0 BCADRM COC1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000828881215 587468361 /nfs/dbraw/zinc/46/83/61/587468361.db2.gz UGOHLTFJUOWPDJ-MRVPVSSYSA-N -1 0 244.291 0.670 20 0 BCADRM COC[C@H](C)C(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828896220 587468971 /nfs/dbraw/zinc/46/89/71/587468971.db2.gz HLOWZUUUZNVAJT-DTWKUNHWSA-N -1 0 244.291 0.480 20 0 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0.185 20 0 BCADRM COC[C@@H](C)CC(=O)O[C@@H]1CCN(C(=O)[O-])C1 ZINC000828898030 587469890 /nfs/dbraw/zinc/46/98/90/587469890.db2.gz XFLLMRJPNWFQJI-DTWKUNHWSA-N -1 0 245.275 0.955 20 0 BCADRM COC[C@@H](C)OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828902764 587470432 /nfs/dbraw/zinc/47/04/32/587470432.db2.gz GVUOWVPWAMMJFX-KCJUWKMLSA-N -1 0 245.275 0.955 20 0 BCADRM COC[C@H](C)OC(=O)C1(NC(=O)[O-])CC1 ZINC000828903655 587470509 /nfs/dbraw/zinc/47/05/09/587470509.db2.gz PCJUKQARWWVANL-LURJTMIESA-N -1 0 217.221 0.365 20 0 BCADRM COC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828903207 587470596 /nfs/dbraw/zinc/47/05/96/587470596.db2.gz KXTGKDQLGOLTQM-GMSGAONNSA-N -1 0 248.254 0.230 20 0 BCADRM COC[C@@H](C)NC(=O)CC1CN(C(=O)[O-])C1 ZINC000828903506 587470739 /nfs/dbraw/zinc/47/07/39/587470739.db2.gz NQPVMNQAYNDWBI-SSDOTTSWSA-N -1 0 230.264 0.137 20 0 BCADRM COC[C@H](C)OC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000828904188 587470760 /nfs/dbraw/zinc/47/07/60/587470760.db2.gz SLIINSJAUOWWPI-YUMQZZPRSA-N 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0.282 20 0 BCADRM COCC[C@H](C)NC(=O)C(C)(C)CNC(=O)[O-] ZINC000828934843 587473385 /nfs/dbraw/zinc/47/33/85/587473385.db2.gz XXDUSAVFWXJOJN-QMMMGPOBSA-N -1 0 246.307 0.821 20 0 BCADRM COCCCCC(=O)OC1CN(C(=O)[O-])C1 ZINC000828944550 587474146 /nfs/dbraw/zinc/47/41/46/587474146.db2.gz CONQYWGYDQDYLF-UHFFFAOYSA-N -1 0 231.248 0.709 20 0 BCADRM COCCCOC(=O)C(C)(C)CNC(=O)[O-] ZINC000828950485 587474829 /nfs/dbraw/zinc/47/48/29/587474829.db2.gz JVNYTMQACXRGQH-UHFFFAOYSA-N -1 0 233.264 0.860 20 0 BCADRM COCCCNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828950311 587474993 /nfs/dbraw/zinc/47/49/93/587474993.db2.gz FZWUVLVZIVPRIW-BDAKNGLRSA-N -1 0 244.291 0.575 20 0 BCADRM COCCCOC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828950382 587475048 /nfs/dbraw/zinc/47/50/48/587475048.db2.gz HLDPGQXZOAXEHZ-JTQLQIEISA-N -1 0 249.238 0.658 20 0 BCADRM COCCCOC(=O)C1(NC(=O)[O-])CC1 ZINC000828950976 587475066 /nfs/dbraw/zinc/47/50/66/587475066.db2.gz YQGMUKASYRKDRK-UHFFFAOYSA-N -1 0 217.221 0.366 20 0 BCADRM COCCCOC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828950383 587475113 /nfs/dbraw/zinc/47/51/13/587475113.db2.gz HLDPGQXZOAXEHZ-SNVBAGLBSA-N -1 0 249.238 0.658 20 0 BCADRM COCCNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828990173 587477486 /nfs/dbraw/zinc/47/74/86/587477486.db2.gz FLPFBILGNPIIRQ-JTQLQIEISA-N -1 0 230.264 0.139 20 0 BCADRM COCCOC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000828995297 587477855 /nfs/dbraw/zinc/47/78/55/587477855.db2.gz FVFZKTAQFHAJFT-SSDOTTSWSA-N -1 0 233.264 0.858 20 0 BCADRM COCCOC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828996554 587478549 /nfs/dbraw/zinc/47/85/49/587478549.db2.gz SHCZFXXSLVNTPT-SECBINFHSA-N -1 0 235.211 0.268 20 0 BCADRM COCCNC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828996538 587478562 /nfs/dbraw/zinc/47/85/62/587478562.db2.gz RYQSQYJYEBAUNI-QMMMGPOBSA-N -1 0 245.279 0.027 20 0 BCADRM CC[C@H](O)CCNC(=S)NCCCC(=O)[O-] ZINC000828998990 587478688 /nfs/dbraw/zinc/47/86/88/587478688.db2.gz MLTQGLOALFNMNA-QMMMGPOBSA-N -1 0 248.348 0.476 20 0 BCADRM COCCONC(=O)CCN(C(=O)[O-])C(C)C ZINC000829007089 587478765 /nfs/dbraw/zinc/47/87/65/587478765.db2.gz DAVHJDOQYPXWLM-UHFFFAOYSA-N -1 0 248.279 0.459 20 0 BCADRM COCCOCCN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000829002483 587479068 /nfs/dbraw/zinc/47/90/68/587479068.db2.gz VUKUMGKZODCSFA-JTQLQIEISA-N -1 0 246.307 0.334 20 0 BCADRM COCCc1nc(C[C@H](C)N(C)C(=O)[O-])no1 ZINC000829023544 587479650 /nfs/dbraw/zinc/47/96/50/587479650.db2.gz DADILCLBYYAGOM-ZETCQYMHSA-N -1 0 243.263 0.799 20 0 BCADRM CCC1(C(=O)NC2(CC(=O)[O-])CCC2)COC1 ZINC000829033481 587480321 /nfs/dbraw/zinc/48/03/21/587480321.db2.gz OKETUHRCQUGQNQ-UHFFFAOYSA-N -1 0 241.287 0.927 20 0 BCADRM CONC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000829062006 587481057 /nfs/dbraw/zinc/48/10/57/587481057.db2.gz WFLLJNHYJRPNKA-NKWVEPMBSA-N -1 0 231.252 0.283 20 0 BCADRM CONC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829061316 587481216 /nfs/dbraw/zinc/48/12/16/587481216.db2.gz LJBSGSOKYFWQNO-IEESLHIDSA-N -1 0 243.263 0.520 20 0 BCADRM CONC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000829062009 587481379 /nfs/dbraw/zinc/48/13/79/587481379.db2.gz WFLLJNHYJRPNKA-RNFRBKRXSA-N -1 0 231.252 0.283 20 0 BCADRM CC[C@@H]1CCCN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829125353 587483685 /nfs/dbraw/zinc/48/36/85/587483685.db2.gz LHNHJZPAJCDAKN-RKDXNWHRSA-N -1 0 249.332 0.911 20 0 BCADRM CC[C@@H]1CCCN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829125349 587483759 /nfs/dbraw/zinc/48/37/59/587483759.db2.gz LHNHJZPAJCDAKN-DTWKUNHWSA-N -1 0 249.332 0.911 20 0 BCADRM CC[C@H]1CN(C(=O)[C@H](C)CC(=O)[O-])CCO1 ZINC000829134054 587484207 /nfs/dbraw/zinc/48/42/07/587484207.db2.gz LBTFBILHWWTRTP-BDAKNGLRSA-N -1 0 229.276 0.735 20 0 BCADRM CC[C@@H]1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000829134229 587484213 /nfs/dbraw/zinc/48/42/13/587484213.db2.gz QREPPBSRUOXZMT-DTWKUNHWSA-N -1 0 249.332 0.769 20 0 BCADRM CCCC(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1 ZINC000829183868 587486820 /nfs/dbraw/zinc/48/68/20/587486820.db2.gz DFCVJUQJDMZXRK-ZETCQYMHSA-N -1 0 241.247 0.767 20 0 BCADRM CCC[C@@H](C)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829216663 587489041 /nfs/dbraw/zinc/48/90/41/587489041.db2.gz QUTRUSQLLRXQRJ-JGVFFNPUSA-N -1 0 237.321 0.815 20 0 BCADRM CCC/C=C/C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000829266780 587490261 /nfs/dbraw/zinc/49/02/61/587490261.db2.gz KVNGLVQUUINXKM-ZWNMCFTASA-N -1 0 227.260 0.703 20 0 BCADRM CCC[C@H]1CC(=O)N(CN(CC)CC(=O)[O-])C1 ZINC000829255559 587490331 /nfs/dbraw/zinc/49/03/31/587490331.db2.gz JNQGAZVMDIWCQF-JTQLQIEISA-N -1 0 242.319 0.999 20 0 BCADRM CCCCNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000829402020 587495939 /nfs/dbraw/zinc/49/59/39/587495939.db2.gz MSVJVKABTBQYCP-UHFFFAOYSA-N -1 0 249.332 0.961 20 0 BCADRM CCCCNC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000829401330 587496115 /nfs/dbraw/zinc/49/61/15/587496115.db2.gz DTYHBYNGYNUZET-JTQLQIEISA-N -1 0 232.255 0.995 20 0 BCADRM CCCN(C1CC1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829464889 587498716 /nfs/dbraw/zinc/49/87/16/587498716.db2.gz SQOZWCAXQJIVNS-MRVPVSSYSA-N -1 0 249.332 0.911 20 0 BCADRM CCCOC(=O)[C@@H](C)N1CCOC[C@@H]1C(=O)[O-] ZINC000829519518 587499598 /nfs/dbraw/zinc/49/95/98/587499598.db2.gz KVUIBONZPXQNOA-RKDXNWHRSA-N -1 0 245.275 0.114 20 0 BCADRM CCCOC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000829523616 587501717 /nfs/dbraw/zinc/50/17/17/587501717.db2.gz YOWQBQYAUUMITM-XLPZGREQSA-N -1 0 244.243 0.592 20 0 BCADRM CCCOC(=O)[C@H](C)N1CC[C@](F)(C(=O)[O-])C1 ZINC000829519262 587502175 /nfs/dbraw/zinc/50/21/75/587502175.db2.gz ATABQMGPAOGRPF-GZMMTYOYSA-N -1 0 247.266 0.827 20 0 BCADRM CCN(C1CCC1)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829619118 587506460 /nfs/dbraw/zinc/50/64/60/587506460.db2.gz RXHHTZQMYAWRAN-QMMMGPOBSA-N -1 0 249.332 0.911 20 0 BCADRM CCN(CC(=O)[O-])C(=O)Cc1ccco1 ZINC000829628741 587506573 /nfs/dbraw/zinc/50/65/73/587506573.db2.gz YCYPAKMFHJUOMN-UHFFFAOYSA-N -1 0 211.217 0.755 20 0 BCADRM CCN(CC(=O)[O-])Cc1nc([C@@H](C)OC)no1 ZINC000829635821 587507149 /nfs/dbraw/zinc/50/71/49/587507149.db2.gz UVTXZEMYVJVIAY-SSDOTTSWSA-N -1 0 243.263 0.684 20 0 BCADRM CCOC1(C(=O)[N-]OCCOC)CCC1 ZINC000829683128 587509204 /nfs/dbraw/zinc/50/92/04/587509204.db2.gz SSTHUMPWMVWVOZ-UHFFFAOYSA-N -1 0 217.265 0.640 20 0 BCADRM CS/C=C\C(=O)N(C)CCCNC(=O)[O-] ZINC000829717217 587511766 /nfs/dbraw/zinc/51/17/66/587511766.db2.gz WXRKAUAGUDQCNV-DAXSKMNVSA-N -1 0 232.305 0.979 20 0 BCADRM CS/C=C\C(=O)NCCCNC(=O)[O-] ZINC000829715865 587511094 /nfs/dbraw/zinc/51/10/94/587511094.db2.gz CLKLMHTYOPJSIE-UTCJRWHESA-N -1 0 218.278 0.637 20 0 BCADRM CSC[C@@H]1CCCN1C(=O)CN(C)C(=O)[O-] ZINC000829723701 587511844 /nfs/dbraw/zinc/51/18/44/587511844.db2.gz UPBMLVUYIXEBOQ-QMMMGPOBSA-N -1 0 246.332 0.950 20 0 BCADRM CSCCCOC(=O)[C@@H](C)NC(=O)[O-] ZINC000829737948 587512701 /nfs/dbraw/zinc/51/27/01/587512701.db2.gz UWJNYEVJLFLDEZ-ZCFIWIBFSA-N -1 0 221.278 0.939 20 0 BCADRM CCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC000829786751 587516252 /nfs/dbraw/zinc/51/62/52/587516252.db2.gz ULBIMNQVRXSONZ-UHFFFAOYSA-N -1 0 242.256 0.521 20 0 BCADRM C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000829811829 587519189 /nfs/dbraw/zinc/51/91/89/587519189.db2.gz HCEZMRUNUUJHMR-BIIVOSGPSA-N -1 0 230.264 0.062 20 0 BCADRM CCOC(=O)[C@H](C)N1CC[C@](F)(C(=O)[O-])C1 ZINC000829822339 587520199 /nfs/dbraw/zinc/52/01/99/587520199.db2.gz GDXJSMUZEBLJBZ-OIBJUYFYSA-N -1 0 233.239 0.437 20 0 BCADRM CCOC(=O)[C@H](C)COC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000829823709 587520232 /nfs/dbraw/zinc/52/02/32/587520232.db2.gz ZGPYYENPUNNSCS-PRJMDXOYSA-N -1 0 244.243 0.450 20 0 BCADRM CCOC(=O)[C@@H](C)N(C)C/C=C(\C)C(=O)[O-] ZINC000829822751 587520541 /nfs/dbraw/zinc/52/05/41/587520541.db2.gz MFEWHWXLQYYMDQ-BNICOGTQSA-N -1 0 229.276 0.901 20 0 BCADRM Cc1[nH]ccc1C(=O)NCCN(C)C(=O)[O-] ZINC000829828076 587520740 /nfs/dbraw/zinc/52/07/40/587520740.db2.gz KDVWTLMCCJDJHV-UHFFFAOYSA-N -1 0 225.248 0.663 20 0 BCADRM CCOC(=O)CC(=O)NC(CC)(CC)C(=O)[O-] ZINC000829837682 587522175 /nfs/dbraw/zinc/52/21/75/587522175.db2.gz KVYOPJVHGKFZNH-UHFFFAOYSA-N -1 0 245.275 0.699 20 0 BCADRM CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000829838103 587522236 /nfs/dbraw/zinc/52/22/36/587522236.db2.gz SFPZTSDXQWJAPU-YUMQZZPRSA-N -1 0 245.275 0.555 20 0 BCADRM CCOC(=O)CC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000829837550 587522240 /nfs/dbraw/zinc/52/22/40/587522240.db2.gz IRYXYFVRFIULAC-HTQZYQBOSA-N -1 0 243.259 0.119 20 0 BCADRM CCOC(=O)CN(C)C(=O)[C@@H](C)CC(=O)[O-] ZINC000829847527 587523232 /nfs/dbraw/zinc/52/32/32/587523232.db2.gz HMDHJVGYFBUZEC-ZETCQYMHSA-N -1 0 231.248 0.119 20 0 BCADRM CCOC(=O)CN(CC)C(=O)[C@H](C)CC(=O)[O-] ZINC000829847413 587523257 /nfs/dbraw/zinc/52/32/57/587523257.db2.gz FHFOQLQSHMWHNS-MRVPVSSYSA-N -1 0 245.275 0.509 20 0 BCADRM CCOC(=O)CCNC(=O)[C@H](C)CC(=O)[O-] ZINC000829847530 587523491 /nfs/dbraw/zinc/52/34/91/587523491.db2.gz HOGJUUIVGHMWTL-SSDOTTSWSA-N -1 0 231.248 0.167 20 0 BCADRM CCOC(=O)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000829852992 587524144 /nfs/dbraw/zinc/52/41/44/587524144.db2.gz YHCGJVWZKASEFO-VIFPVBQESA-N -1 0 219.212 0.048 20 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CCOCC(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC000829938765 587529240 /nfs/dbraw/zinc/52/92/40/587529240.db2.gz HEUUPYGLGPYFEN-UHFFFAOYSA-N -1 0 244.272 0.841 20 0 BCADRM Cc1cc(C(=O)NCC(C)(C)NC(=O)[O-])on1 ZINC000829947056 587529507 /nfs/dbraw/zinc/52/95/07/587529507.db2.gz UQTGCNTYAQUYCC-UHFFFAOYSA-N -1 0 241.247 0.759 20 0 BCADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)N(C)C ZINC000829960337 587529960 /nfs/dbraw/zinc/52/99/60/587529960.db2.gz GBJFTZDJLRRRID-ZETCQYMHSA-N -1 0 218.253 0.090 20 0 BCADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cocn1 ZINC000829978992 587530854 /nfs/dbraw/zinc/53/08/54/587530854.db2.gz VGUXYBKBXLUBPL-QMMMGPOBSA-N -1 0 242.231 0.236 20 0 BCADRM CCOCCOC(=O)c1cnccc1C(=O)[O-] ZINC000830011246 587532172 /nfs/dbraw/zinc/53/21/72/587532172.db2.gz ARZAEWUQDPOFPH-UHFFFAOYSA-N -1 0 239.227 0.973 20 0 BCADRM Cc1cc(C[C@H](C)NC(=O)CNC(=O)[O-])[nH]n1 ZINC000830030102 587532674 /nfs/dbraw/zinc/53/26/74/587532674.db2.gz MPJKIKJGMOEMDB-LURJTMIESA-N -1 0 240.263 0.033 20 0 BCADRM 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215.249 0.535 20 0 BCADRM CCOCCCC(=O)N[C@@H](C)C(=O)[O-] ZINC000082261375 597307531 /nfs/dbraw/zinc/30/75/31/597307531.db2.gz OKSAUJPMFYYDQH-ZETCQYMHSA-N -1 0 203.238 0.392 20 0 BCADRM C[C@H](NC(=O)[C@H]1CSCCS1)C(=O)[O-] ZINC000306321021 597308570 /nfs/dbraw/zinc/30/85/70/597308570.db2.gz TWKQPROZDGOOPV-NTSWFWBYSA-N -1 0 235.330 0.424 20 0 BCADRM C[C@H]1CCN1C(=O)NCCCC(=O)[O-] ZINC000706744347 597309292 /nfs/dbraw/zinc/30/92/92/597309292.db2.gz OUCKLRLPFSEZHV-ZETCQYMHSA-N -1 0 200.238 0.655 20 0 BCADRM C[C@@H]1C[C@@H]1NC(=O)NCCCC(=O)[O-] ZINC000052296653 597310000 /nfs/dbraw/zinc/31/00/00/597310000.db2.gz PCQFDCCNFFPXBG-RQJHMYQMSA-N -1 0 200.238 0.559 20 0 BCADRM C[C@H]1COCCCN1C(=O)NCCCC(=O)[O-] ZINC000399769619 597332609 /nfs/dbraw/zinc/33/26/09/597332609.db2.gz WTBVMWTXHTXZNT-VIFPVBQESA-N -1 0 244.291 0.672 20 0 BCADRM CC[C@@H](NC(=O)COC1(C)CCC1)C(=O)[O-] ZINC000381133683 597334019 /nfs/dbraw/zinc/33/40/19/597334019.db2.gz LIKKXMKRFHTMLA-MRVPVSSYSA-N -1 0 229.276 0.925 20 0 BCADRM C[C@@H](O)[C@H]1CCCN(C(=O)NCCC(=O)[O-])C1 ZINC000688951333 597349234 /nfs/dbraw/zinc/34/92/34/597349234.db2.gz KGHQMIGGCXSSGQ-BDAKNGLRSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@H](O)[C@H]1CCCN(C(=O)NCCC(=O)[O-])C1 ZINC000688951339 597349335 /nfs/dbraw/zinc/34/93/35/597349335.db2.gz KGHQMIGGCXSSGQ-IUCAKERBSA-N -1 0 244.291 0.264 20 0 BCADRM C[C@H](NC(=O)CSCC(=O)[O-])C(C)(C)O ZINC000394014073 597362604 /nfs/dbraw/zinc/36/26/04/597362604.db2.gz JQUIJOCOTCQKOT-LURJTMIESA-N -1 0 235.305 0.080 20 0 BCADRM CC[C@@H](C)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043705700 597366521 /nfs/dbraw/zinc/36/65/21/597366521.db2.gz VBIHXIZOMYYPTG-SFYZADRCSA-N -1 0 230.264 0.280 20 0 BCADRM Cc1nnccc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000701813730 597383254 /nfs/dbraw/zinc/38/32/54/597383254.db2.gz MESAKJACZBWGLK-VIFPVBQESA-N -1 0 237.259 0.624 20 0 BCADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccnnc1 ZINC000159351228 597407832 /nfs/dbraw/zinc/40/78/32/597407832.db2.gz QXGNYOCVRMOGHL-ZCFIWIBFSA-N -1 0 209.205 0.022 20 0 BCADRM 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CC[C@H]1CN(C(=O)CSCC(=O)[O-])C[C@@H]1O ZINC000400246562 597459517 /nfs/dbraw/zinc/45/95/17/597459517.db2.gz TUGXVMBYNQQFCE-YUMQZZPRSA-N -1 0 247.316 0.034 20 0 BCADRM Cn1cc(CN2CCC(C(=O)[O-])CC2)nn1 ZINC000236102590 597466204 /nfs/dbraw/zinc/46/62/04/597466204.db2.gz VCGUSXHPOHIFGU-UHFFFAOYSA-N -1 0 224.264 0.112 20 0 BCADRM CCCc1noc(CN(C)[C@@H](C)C(=O)[O-])n1 ZINC000054069776 597472086 /nfs/dbraw/zinc/47/20/86/597472086.db2.gz LFPZBRDWPKZZMI-ZETCQYMHSA-N -1 0 227.264 0.927 20 0 BCADRM CCn1ccnc1CN(C)[C@H](C)C(=O)[O-] ZINC000054743809 597472888 /nfs/dbraw/zinc/47/28/88/597472888.db2.gz FKKLQAVFZOSFLI-MRVPVSSYSA-N -1 0 211.265 0.808 20 0 BCADRM Cc1cnc(CN(C)[C@@H](C)C(=O)[O-])cn1 ZINC000380148748 597473744 /nfs/dbraw/zinc/47/37/44/597473744.db2.gz XGOFCMONFLDZEU-QMMMGPOBSA-N -1 0 209.249 0.690 20 0 BCADRM CCCn1cc(NC(=O)NCC(=O)[O-])cn1 ZINC000390161566 597492179 /nfs/dbraw/zinc/49/21/79/597492179.db2.gz ZXCBFAKUWAIIFC-UHFFFAOYSA-N -1 0 226.236 0.499 20 0 BCADRM C[C@@H](OC(=O)c1ccc(CO)cc1)C(=O)[O-] ZINC000737713338 597494440 /nfs/dbraw/zinc/49/44/40/597494440.db2.gz LTTOUPVZWPJBPV-SSDOTTSWSA-N -1 0 224.212 0.809 20 0 BCADRM Cc1noc(C)c1CC(=O)O[C@@H](C)C(=O)[O-] ZINC000738389565 597494651 /nfs/dbraw/zinc/49/46/51/597494651.db2.gz NWBATTKHVOVEFJ-ZETCQYMHSA-N -1 0 227.216 0.850 20 0 BCADRM CCOCCCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000082261356 597494827 /nfs/dbraw/zinc/49/48/27/597494827.db2.gz OHTGZLVVNXRPGQ-SECBINFHSA-N -1 0 229.276 0.879 20 0 BCADRM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1C ZINC000062117647 597495578 /nfs/dbraw/zinc/49/55/78/597495578.db2.gz OOCSLGPZEPMJOH-QMMMGPOBSA-N -1 0 237.259 0.275 20 0 BCADRM O=C([O-])[C@H]1CCN(C(=O)c2cncs2)C1 ZINC000236437549 597496284 /nfs/dbraw/zinc/49/62/84/597496284.db2.gz UJOASVSKXHHUEJ-LURJTMIESA-N -1 0 226.257 0.690 20 0 BCADRM C[C@@H](OC(=O)COCC1CC1)C(=O)[O-] ZINC000737705527 597498585 /nfs/dbraw/zinc/49/85/85/597498585.db2.gz JXWRJGBAZNYXEC-ZCFIWIBFSA-N -1 0 202.206 0.429 20 0 BCADRM 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O=C([O-])N1CSC[C@@H]1C(=O)O[C@@H]1CCOC1 ZINC000740718743 603151333 /nfs/dbraw/zinc/15/13/33/603151333.db2.gz ALOKCDLKCUBSGD-RNFRBKRXSA-N -1 0 247.272 0.371 20 0 BCADRM O=C([O-])NCCCOC(=O)C[C@H]1CCOC1 ZINC000740655212 603161674 /nfs/dbraw/zinc/16/16/74/603161674.db2.gz VEUUPPDBKVTFMF-MRVPVSSYSA-N -1 0 231.248 0.614 20 0 BCADRM CCNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739462639 603163503 /nfs/dbraw/zinc/16/35/03/603163503.db2.gz PBEAETHTEJNQNB-JGVFFNPUSA-N -1 0 214.265 0.949 20 0 BCADRM COCCCC(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000739809668 603167838 /nfs/dbraw/zinc/16/78/38/603167838.db2.gz BAEQDLXUUZYZFY-VIFPVBQESA-N -1 0 245.275 0.956 20 0 BCADRM CO[C@@H](C)C(=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739794211 603169110 /nfs/dbraw/zinc/16/91/10/603169110.db2.gz AGXCPFAGWRKTHD-JGVFFNPUSA-N -1 0 231.248 0.564 20 0 BCADRM COCCN(CC(=O)O[C@H](C)C1CC1)C(=O)[O-] ZINC000739827431 603170653 /nfs/dbraw/zinc/17/06/53/603170653.db2.gz BCJWFSWSBNYFLR-MRVPVSSYSA-N -1 0 245.275 0.955 20 0 BCADRM 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ZINC000739278226 603189566 /nfs/dbraw/zinc/18/95/66/603189566.db2.gz MQZDFUZNLGDJJL-MRVPVSSYSA-N -1 0 232.280 0.528 20 0 BCADRM CN(CCCNC(=O)[O-])C(=O)c1ccncc1 ZINC000739676512 603191517 /nfs/dbraw/zinc/19/15/17/603191517.db2.gz MJNDJYKUKMBYJZ-UHFFFAOYSA-N -1 0 237.259 0.811 20 0 BCADRM Cc1cc(CC(=O)NCCCNC(=O)[O-])no1 ZINC000740080310 603191654 /nfs/dbraw/zinc/19/16/54/603191654.db2.gz OHXFKWXPIZXNKN-UHFFFAOYSA-N -1 0 241.247 0.299 20 0 BCADRM CSCCCC(=O)NCCNC(=O)[O-] ZINC000740009502 603194294 /nfs/dbraw/zinc/19/42/94/603194294.db2.gz HAJQFEXVFCLAJX-UHFFFAOYSA-N -1 0 220.294 0.513 20 0 BCADRM CSCCCC(=O)NCCN(C)C(=O)[O-] ZINC000740009304 603197342 /nfs/dbraw/zinc/19/73/42/603197342.db2.gz CWNMMQZZCDQAMW-UHFFFAOYSA-N -1 0 234.321 0.856 20 0 BCADRM Cc1c[nH]cc1C(=O)NC1CN(C(=O)[O-])C1 ZINC000740050623 603202069 /nfs/dbraw/zinc/20/20/69/603202069.db2.gz ZTTWNKWCLWWDDO-UHFFFAOYSA-N -1 0 223.232 0.415 20 0 BCADRM C[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739127191 603210351 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603296728 /nfs/dbraw/zinc/29/67/28/603296728.db2.gz BSAYHLKERYFQHO-QMMMGPOBSA-N -1 0 247.295 0.056 20 0 BCADRM CN(CCNC(=O)C1CC=CC1)C(=O)[O-] ZINC000739689488 603297189 /nfs/dbraw/zinc/29/71/89/603297189.db2.gz VZUUOSXBJYXLNG-UHFFFAOYSA-N -1 0 212.249 0.679 20 0 BCADRM CN(CCCNC(=O)[O-])C(=O)c1c[nH]cn1 ZINC000739676928 603297952 /nfs/dbraw/zinc/29/79/52/603297952.db2.gz PYGCREHWIZMJRU-UHFFFAOYSA-N -1 0 226.236 0.139 20 0 BCADRM Cc1cnccc1NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000740196916 603307547 /nfs/dbraw/zinc/30/75/47/603307547.db2.gz CZYPNMDOIWBWDY-SECBINFHSA-N -1 0 249.270 0.750 20 0 BCADRM CCOCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000739491211 603307756 /nfs/dbraw/zinc/30/77/56/603307756.db2.gz SNDVXHRYAKFCSS-RKDXNWHRSA-N -1 0 244.291 0.575 20 0 BCADRM Cc1nonc1C(=O)NCC[C@H](C)NC(=O)[O-] ZINC000740267997 603309743 /nfs/dbraw/zinc/30/97/43/603309743.db2.gz XVERXPDQGWWQCD-YFKPBYRVSA-N -1 0 242.235 0.154 20 0 BCADRM O=C([O-])N1CC[C@@H](C(=O)NCc2ncc[nH]2)C1 ZINC000740452629 603311887 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603359200 /nfs/dbraw/zinc/35/92/00/603359200.db2.gz OHYBMDJPJZBGIH-SECBINFHSA-N -1 0 244.291 0.624 20 0 BCADRM COCC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739805026 603367046 /nfs/dbraw/zinc/36/70/46/603367046.db2.gz JTZGGHAEFQNILF-YUMQZZPRSA-N -1 0 230.264 0.137 20 0 BCADRM Nc1n[nH]c(SC[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000740340713 603372039 /nfs/dbraw/zinc/37/20/39/603372039.db2.gz JGJCEBDCLXWOCA-YFKPBYRVSA-N -1 0 243.292 0.479 20 0 BCADRM CCCNC(=S)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739365726 603374140 /nfs/dbraw/zinc/37/41/40/603374140.db2.gz JWUIZYFKTVSFCV-QMMMGPOBSA-N -1 0 245.348 0.955 20 0 BCADRM Cc1noc(OC[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000740264686 603374826 /nfs/dbraw/zinc/37/48/26/603374826.db2.gz WSSHVLNOSDCWQC-SSDOTTSWSA-N -1 0 227.220 0.757 20 0 BCADRM CCN(CC(=O)N[C@@H](C)C1CC1)C(=O)[O-] ZINC000739389316 603376629 /nfs/dbraw/zinc/37/66/29/603376629.db2.gz LCJSXNSHYIKQBC-ZETCQYMHSA-N -1 0 214.265 0.901 20 0 BCADRM CCN(CC(=O)N1C[C@H](C)OC[C@@H]1C)C(=O)[O-] ZINC000739386760 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234.255 0.861 20 0 BCADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1cccnc1 ZINC000397122221 711378123 /nfs/dbraw/zinc/37/81/23/711378123.db2.gz JBDFXSKMHAEADI-NXEZZACHSA-N -1 0 234.255 0.809 20 0 BCADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1ccccn1 ZINC000397144196 711378188 /nfs/dbraw/zinc/37/81/88/711378188.db2.gz ZDZODCAHJSVXEQ-NXEZZACHSA-N -1 0 234.255 0.809 20 0 BCADRM COC[C@@H](NC(=O)CCCC(=O)[O-])C1CC1 ZINC000397235582 711379507 /nfs/dbraw/zinc/37/95/07/711379507.db2.gz BFHBBNPCWPPCAM-SECBINFHSA-N -1 0 229.276 0.783 20 0 BCADRM CN(Cc1cn[nH]c1)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397204342 711379842 /nfs/dbraw/zinc/37/98/42/711379842.db2.gz RUJNJSWLZRIWJE-BDAKNGLRSA-N -1 0 237.259 0.479 20 0 BCADRM CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397215611 711379848 /nfs/dbraw/zinc/37/98/48/711379848.db2.gz AOPOZHGXNARVFR-RYPBNFRJSA-N -1 0 241.287 0.373 20 0 BCADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC[C@H]1CO ZINC000397286163 711380706 /nfs/dbraw/zinc/38/07/06/711380706.db2.gz 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712373972 /nfs/dbraw/zinc/37/39/72/712373972.db2.gz MCEUNGSVQVLQEO-GFCCVEGCSA-N -1 0 223.348 0.421 20 0 BCADRM COC(C)(C)CCNC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000711906935 712337278 /nfs/dbraw/zinc/33/72/78/712337278.db2.gz GLCPOGFGOOETNS-MRVPVSSYSA-N -1 0 246.307 0.916 20 0 BCADRM CCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)[O-] ZINC000142461778 712342187 /nfs/dbraw/zinc/34/21/87/712342187.db2.gz YRKKUQJRDOKSKD-YUMQZZPRSA-N -1 0 217.265 0.373 20 0 BCADRM CC(C)[C@@H](CNC(=O)N1CCC1)NC(=O)[O-] ZINC000738784885 712342683 /nfs/dbraw/zinc/34/26/83/712342683.db2.gz LUZTUWDBXWHCJQ-MRVPVSSYSA-N -1 0 229.280 0.694 20 0 BCADRM CC(C)NC(=S)NCCCNC(=O)[O-] ZINC000738860142 712342815 /nfs/dbraw/zinc/34/28/15/712342815.db2.gz LOXUUFZCWRIQPF-UHFFFAOYSA-N -1 0 219.310 0.517 20 0 BCADRM Cc1noc(C)c1COC(=O)CCNC(=O)[O-] ZINC000738944288 712343563 /nfs/dbraw/zinc/34/35/63/712343563.db2.gz FMRLPPYDMZLENC-UHFFFAOYSA-N -1 0 242.231 0.992 20 0 BCADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCCCOC ZINC000739242028 712344407 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ZINC000713215486 712455339 /nfs/dbraw/zinc/45/53/39/712455339.db2.gz IHVYXZNCSAGZRD-ZETCQYMHSA-N -1 0 235.305 0.345 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N1CCSC[C@H]1C ZINC000713216195 712455341 /nfs/dbraw/zinc/45/53/41/712455341.db2.gz KMEWDANBLIOAJW-RNFRBKRXSA-N -1 0 233.289 0.050 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)NC[C@H]1CCCC12CC2 ZINC000713223302 712455604 /nfs/dbraw/zinc/45/56/04/712455604.db2.gz FYRFBBSAJOCFQO-BDAKNGLRSA-N -1 0 241.287 0.783 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N1CCCC[C@H](C)C1 ZINC000713237726 712455680 /nfs/dbraw/zinc/45/56/80/712455680.db2.gz YNMZVYKZQVGTDO-IUCAKERBSA-N -1 0 229.276 0.735 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N1CCC(C)(C)CC1 ZINC000713258265 712456945 /nfs/dbraw/zinc/45/69/45/712456945.db2.gz DTYVLSSRCAJGTP-QMMMGPOBSA-N -1 0 229.276 0.735 20 0 BCADRM CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H](OC)C(=O)[O-] ZINC000713260096 712457019 /nfs/dbraw/zinc/45/70/19/712457019.db2.gz ORVNESBFKZFSMK-HLTSFMKQSA-N -1 0 229.276 0.876 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000713254046 712457048 /nfs/dbraw/zinc/45/70/48/712457048.db2.gz SAOVQUKKYLZREV-VGMNWLOBSA-N -1 0 229.276 0.733 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N(CC1CC1)CC1CC1 ZINC000713268720 712457269 /nfs/dbraw/zinc/45/72/69/712457269.db2.gz OMCGIWLJAHBXJT-SNVBAGLBSA-N -1 0 241.287 0.735 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)NCC(C1CC1)C1CC1 ZINC000713271257 712457278 /nfs/dbraw/zinc/45/72/78/712457278.db2.gz YEYLUNQHIHDJIK-SNVBAGLBSA-N -1 0 241.287 0.638 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000713271254 712457314 /nfs/dbraw/zinc/45/73/14/712457314.db2.gz YCCOHAWGHSWYSK-GUBZILKMSA-N -1 0 241.287 0.877 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)NCCC1CCC1 ZINC000713267378 712457315 /nfs/dbraw/zinc/45/73/15/712457315.db2.gz KWUJAYBOEGEETH-QMMMGPOBSA-N -1 0 215.249 0.392 20 0 BCADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H](C(C)C)C1CC1 ZINC000713268764 712457320 /nfs/dbraw/zinc/45/73/20/712457320.db2.gz PGXJIGZRVDJBLY-DTWKUNHWSA-N -1 0 229.276 0.637 20 0 BCADRM CO[C@H](C(=O)[O-])C(=O)NC[C@H](C)C1CC1 ZINC000713270082 712457349 /nfs/dbraw/zinc/45/73/49/712457349.db2.gz UKQHXIUTRULWLI-XPUUQOCRSA-N -1 0 215.249 0.248 20 0 BCADRM CC[C@H]1CCCN1C(=O)[C@@H](OC)C(=O)[O-] ZINC000713271288 712457390 /nfs/dbraw/zinc/45/73/90/712457390.db2.gz ZJIODODPFRDRTH-JGVFFNPUSA-N -1 0 215.249 0.487 20 0 BCADRM CO[C@@H](C)CN1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000713513082 712464488 /nfs/dbraw/zinc/46/44/88/712464488.db2.gz BABPBPQZKRXVQM-BQBZGAKWSA-N -1 0 223.219 0.816 20 0 BCADRM CCC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000713513702 712464597 /nfs/dbraw/zinc/46/45/97/712464597.db2.gz DXOPGMDDKDHKDG-YFKPBYRVSA-N -1 0 207.176 0.717 20 0 BCADRM C[S@@](=O)CCN1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000713566586 712464797 /nfs/dbraw/zinc/46/47/97/712464797.db2.gz VFIGBIHDLKEXON-WDDATRMLSA-N -1 0 241.259 0.159 20 0 BCADRM CCN(CC(=O)[O-])C(=O)NC[C@H]1C[C@H](OC)C1 ZINC000714611495 712488258 /nfs/dbraw/zinc/48/82/58/712488258.db2.gz ACDWSVKDBCNHJT-KYZUINATSA-N -1 0 244.291 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