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10 0 BDAEMN CNCc1nnnn1[C@H](C)c1ccccc1F ZINC000054747191 173398844 /nfs/dbraw/zinc/39/88/44/173398844.db2.gz YPLZZQZKBNKSOZ-MRVPVSSYSA-N 0 1 235.266 1.141 10 0 BDAEMN CN[C@H]1c2cccc(F)c2S(=O)(=O)C[C@H]1C ZINC000035762819 173468973 /nfs/dbraw/zinc/46/89/73/173468973.db2.gz JQCJKVWYQGCKKR-GMSGAONNSA-N 0 1 243.303 1.510 10 0 BDAEMN COCC[N@@H+](C[C@@H](C)C(=O)[O-])C(C)C ZINC000071738166 174297236 /nfs/dbraw/zinc/29/72/36/174297236.db2.gz INMNPCOZESHBIL-SECBINFHSA-N 0 1 203.282 1.064 10 0 BDAEMN COc1ccc(-c2nc(CN)co2)c(OC)c1 ZINC000082547375 175039990 /nfs/dbraw/zinc/03/99/90/175039990.db2.gz LJCLHJIOUUGMOV-UHFFFAOYSA-N 0 1 234.255 1.818 10 0 BDAEMN COc1ccc(N)cc1-c1nnc(C2CC2)[nH]1 ZINC000072237627 175137958 /nfs/dbraw/zinc/13/79/58/175137958.db2.gz SUESOZWGDUAKER-UHFFFAOYSA-N 0 1 230.271 1.940 10 0 BDAEMN COc1cccc(C(=O)[C@@H](N)C(C)C)c1 ZINC000071510312 175247212 /nfs/dbraw/zinc/24/72/12/175247212.db2.gz GPXIOCMRGUDUPH-NSHDSACASA-N 0 1 207.273 1.861 10 0 BDAEMN C[C@@H](CC(=O)[O-])[N@@H+](CCO)C1CCCC1 ZINC000042510996 175643959 /nfs/dbraw/zinc/64/39/59/175643959.db2.gz QYXNMVPVTYPNPE-VIFPVBQESA-N 0 1 215.293 1.087 10 0 BDAEMN C[C@@H](c1nccs1)[NH+]1CC(C(=O)[O-])C1 ZINC000083416444 176039148 /nfs/dbraw/zinc/03/91/48/176039148.db2.gz MCLQDYAINKFPEM-LURJTMIESA-N 0 1 212.274 1.221 10 0 BDAEMN C[C@@H]1CCCC[C@@H]1N(C)c1nccnc1C(=N)N ZINC000054380040 176079155 /nfs/dbraw/zinc/07/91/55/176079155.db2.gz WBPFTBJMGGBTQA-ZJUUUORDSA-N 0 1 247.346 1.776 10 0 BDAEMN C[C@@H]1CCCC[C@@]1(C(=O)[O-])[N@@H+]1CCCNCC1 ZINC000037958912 176083579 /nfs/dbraw/zinc/08/35/79/176083579.db2.gz LLXARGSIJRQLHS-DGCLKSJQSA-N 0 1 240.347 1.315 10 0 BDAEMN C[C@@H]1CCCC[C@@]1(C(=O)[O-])[N@H+]1CCCNCC1 ZINC000037958912 176083580 /nfs/dbraw/zinc/08/35/80/176083580.db2.gz LLXARGSIJRQLHS-DGCLKSJQSA-N 0 1 240.347 1.315 10 0 BDAEMN C[C@@H]1CCCN1C(=O)c1[nH]nc2ccc(N)cc21 ZINC000037909667 176106895 /nfs/dbraw/zinc/10/68/95/176106895.db2.gz CWKZMWNYFAQJRW-MRVPVSSYSA-N 0 1 244.298 1.770 10 0 BDAEMN C[C@@H]1CCC[C@H](Oc2nccnc2CN)C1 ZINC000054378596 176145950 /nfs/dbraw/zinc/14/59/50/176145950.db2.gz MCSVQBUNKIYPSD-ZJUUUORDSA-N 0 1 221.304 1.893 10 0 BDAEMN C[C@@H]1CC[N@H+](c2ccc(N)c(C(=O)[O-])c2)C1 ZINC000040726708 176181283 /nfs/dbraw/zinc/18/12/83/176181283.db2.gz PCYIJKHIVKDODC-MRVPVSSYSA-N 0 1 220.272 1.813 10 0 BDAEMN C[C@@H]1OCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000134269098 176479469 /nfs/dbraw/zinc/47/94/69/176479469.db2.gz GHIZBRMNYRPJAD-WCBMZHEXSA-N 0 1 245.282 1.470 10 0 BDAEMN C[C@H](O)[C@@H](N)c1nnc(C2CCCCC2)[nH]1 ZINC000041058857 177006150 /nfs/dbraw/zinc/00/61/50/177006150.db2.gz JBADRKJLKIMKQV-IONNQARKSA-N 0 1 224.308 1.233 10 0 BDAEMN C[C@H](c1nccs1)N1CC[C@@H](CO)C1 ZINC000100248444 177054269 /nfs/dbraw/zinc/05/42/69/177054269.db2.gz RSQKOCBODUBLMY-RKDXNWHRSA-N 0 1 212.318 1.518 10 0 BDAEMN C[C@H]1CCC[C@@](N)(C(=O)OC2CCC2)C1 ZINC000050929387 177127654 /nfs/dbraw/zinc/12/76/54/177127654.db2.gz PVBJQPDJTKVEGH-CABZTGNLSA-N 0 1 211.305 1.990 10 0 BDAEMN C[C@H]1CSC(NCc2ccccn2)=N1 ZINC000035295039 177303430 /nfs/dbraw/zinc/30/34/30/177303430.db2.gz AJHDWBFEOFCGSN-QMMMGPOBSA-N 0 1 207.302 1.663 10 0 BDAEMN C[C@H]1C[C@@H]1NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000052289194 177348342 /nfs/dbraw/zinc/34/83/42/177348342.db2.gz IJWGUTZZGGTQDP-TVYUQYBPSA-N 0 1 230.311 1.226 10 0 BDAEMN C[C@H]1C[C@H]1NC(=O)c1cnccc1N(C)C ZINC000183557064 177385414 /nfs/dbraw/zinc/38/54/14/177385414.db2.gz PEKBAXMCIBGBDX-WCBMZHEXSA-N 0 1 219.288 1.286 10 0 BDAEMN C[C@H]1NCCCn2c1nnc2C(F)(F)F ZINC000039110197 177396826 /nfs/dbraw/zinc/39/68/26/177396826.db2.gz AYLCVQLRCMPZPD-RXMQYKEDSA-N 0 1 220.198 1.351 10 0 BDAEMN CCc1nnc(CN[C@@]2(C)CCO[C@@H]2C)n1C ZINC000494224419 226262548 /nfs/dbraw/zinc/26/25/48/226262548.db2.gz SRWXNLFGQMSZTK-SKDRFNHKSA-N 0 1 238.335 1.035 10 0 BDAEMN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(CN)o1 ZINC000226379294 487725558 /nfs/dbraw/zinc/72/55/58/487725558.db2.gz CFHTVRMXKZNANO-WPRPVWTQSA-N 0 1 222.288 1.657 10 0 BDAEMN OC[C@H]1COCCN1CC/C=C/c1ccccc1 ZINC000323398613 487850469 /nfs/dbraw/zinc/85/04/69/487850469.db2.gz KQVLSCXHBXJAAZ-LWUPOJRFSA-N 0 1 247.338 1.783 10 0 BDAEMN CCC(C)(C)NC(=O)CN1C[C@H](O)CC[C@@H]1C ZINC000399390849 323205271 /nfs/dbraw/zinc/20/52/71/323205271.db2.gz CNNMQBTVJDEFLO-WDEREUQCSA-N 0 1 242.363 1.136 10 0 BDAEMN CNC(=O)[C@H](C)NCc1coc2ccccc12 ZINC000130966706 325104640 /nfs/dbraw/zinc/10/46/40/325104640.db2.gz GBAMTIHNCZMZQX-VIFPVBQESA-N 0 1 232.283 1.657 10 0 BDAEMN CC[C@H](NC(=O)[C@H](N)COC)C1CCCCC1 ZINC000159889732 488091132 /nfs/dbraw/zinc/09/11/32/488091132.db2.gz RXZDCNDNEXDZSZ-NEPJUHHUSA-N 0 1 242.363 1.435 10 0 BDAEMN O=C1NCC[C@H]1N[C@H]1CCCc2ccc(O)cc21 ZINC000658051958 487534374 /nfs/dbraw/zinc/53/43/74/487534374.db2.gz FMCPGUJCLMEXCZ-QWHCGFSZSA-N 0 1 246.310 1.248 10 0 BDAEMN Cc1cnc([C@H](C)NCCCc2cnn(C)c2)o1 ZINC000314413271 491066739 /nfs/dbraw/zinc/06/67/39/491066739.db2.gz WXMLQUQXAKOZCA-NSHDSACASA-N 0 1 248.330 2.000 10 0 BDAEMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1C[C@@H]1C ZINC000132234092 491134861 /nfs/dbraw/zinc/13/48/61/491134861.db2.gz SXRZRBQIOUVWRE-IONNQARKSA-N 0 1 221.304 1.980 10 0 BDAEMN CCc1cc(C(=O)N2[C@H](C)COC[C@@H]2C)n[nH]1 ZINC000155102991 491156039 /nfs/dbraw/zinc/15/60/39/491156039.db2.gz MOCRVVUJRPWDDL-DTORHVGOSA-N 0 1 237.303 1.222 10 0 BDAEMN CCc1nnc(CN2CC[C@@H](C)[C@@H]2CC)n1C ZINC000185627814 535845565 /nfs/dbraw/zinc/84/55/65/535845565.db2.gz SCIBWJOVYIJIQF-MNOVXSKESA-N 0 1 236.363 1.998 10 0 BDAEMN [NH3+][C@@H](c1nc(=O)o[n-]1)c1cc(F)ccc1F ZINC000095532983 527340185 /nfs/dbraw/zinc/34/01/85/527340185.db2.gz PDXXLYALXAAVSG-SSDOTTSWSA-N 0 1 227.170 1.102 10 0 BDAEMN CCCC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000083703918 535341356 /nfs/dbraw/zinc/34/13/56/535341356.db2.gz FNSHIIFNVQNSHW-RYUDHWBXSA-N 0 1 224.348 1.872 10 0 BDAEMN CCCC(=O)C1=C(O)C2(CCCC2)OC1 ZINC000725257768 538067739 /nfs/dbraw/zinc/06/77/39/538067739.db2.gz XQJRMQAVLINXNX-SECBINFHSA-N 0 1 210.273 1.884 10 0 BDAEMN CCOCCC(O)=C(C)C(=O)[C@H]1C[C@@H]1C ZINC000321702745 566482666 /nfs/dbraw/zinc/48/26/66/566482666.db2.gz DLCNWUTYEUVRBB-GUBZILKMSA-N 0 1 212.289 1.843 10 0 BDAEMN CNCc1csc([C@@H](O)CC(C)C)n1 ZINC000757124907 582500275 /nfs/dbraw/zinc/50/02/75/582500275.db2.gz DNXAFMBOOWDYBB-VIFPVBQESA-N 0 1 214.334 1.942 10 0 BDAEMN N[C@H](CF)c1c(F)cccc1N1CCOCC1 ZINC000757134254 582511042 /nfs/dbraw/zinc/51/10/42/582511042.db2.gz NDRNUSJELKVEPI-SNVBAGLBSA-N 0 1 242.269 1.632 10 0 BDAEMN C[C@@H]1CC[NH2+][C@H](c2ccc(C(=O)[O-])cc2)[C@H]1N ZINC000757216078 582560838 /nfs/dbraw/zinc/56/08/38/582560838.db2.gz PDLASTOLOPUGLY-JFUSQASVSA-N 0 1 234.299 1.383 10 0 BDAEMN CCOCCC(O)=CC(=O)C(C)(C)C ZINC000034960928 582569510 /nfs/dbraw/zinc/56/95/10/582569510.db2.gz DVBHNIXNVOTIOL-UHFFFAOYSA-N 0 1 200.278 1.987 10 0 BDAEMN Cc1cn2c(n1)NCC[C@@H]2c1ccnn1C ZINC000236045912 582637782 /nfs/dbraw/zinc/63/77/82/582637782.db2.gz LZCZNASKRKKCAS-SNVBAGLBSA-N 0 1 217.276 1.330 10 0 BDAEMN Cc1cn2c(n1)NCC[C@@H]2c1cccnc1 ZINC000236045863 582637833 /nfs/dbraw/zinc/63/78/33/582637833.db2.gz IEWHFDXTGAZERI-LLVKDONJSA-N 0 1 214.272 1.992 10 0 BDAEMN Fc1ccc([C@@H]2CCn3ccnc3N2)nc1 ZINC000236215031 582641664 /nfs/dbraw/zinc/64/16/64/582641664.db2.gz ZUSJQDCIRXMOOI-JTQLQIEISA-N 0 1 218.235 1.974 10 0 BDAEMN C[C@@H]1C[NH2+][C@H](c2ccc(C(=O)[O-])cc2)[C@H](N)C1 ZINC000757217378 586441604 /nfs/dbraw/zinc/44/16/04/586441604.db2.gz RRQZGWDYVXXKIX-XXILOJSOSA-N 0 1 234.299 1.383 10 0 BDAEMN Cc1sc([C@@H]2CCNC[C@H]2[NH3+])cc1C(=O)[O-] ZINC000757229942 586443257 /nfs/dbraw/zinc/44/32/57/586443257.db2.gz FJMHPBFBOMTJLJ-VXNVDRBHSA-N 0 1 240.328 1.159 10 0 BDAEMN COC(=O)[C@](C)(N)C[C@H](C)n1nccc1C ZINC000203547000 589247023 /nfs/dbraw/zinc/24/70/23/589247023.db2.gz DZGCZVIDBWKQHW-GXSJLCMTSA-N 0 1 225.292 1.033 10 0 BDAEMN C[C@@H]1COC[C@@H](C)N1CC[C@@H]1CCOC1=O ZINC000120701212 589457813 /nfs/dbraw/zinc/45/78/13/589457813.db2.gz OFQHLZUHUTVLLP-GMTAPVOTSA-N 0 1 227.304 1.049 10 0 BDAEMN C[C@@H]1CN(C(=O)N2CCCCC2)C[C@H](C)N1C ZINC000135268561 592000214 /nfs/dbraw/zinc/00/02/14/592000214.db2.gz GWIJLBHIEYRZCB-TXEJJXNPSA-N 0 1 239.363 1.617 10 0 BDAEMN C[C@@H](O)[C@H](C)NCc1occc1Br ZINC000308272581 631236404 /nfs/dbraw/zinc/23/64/04/631236404.db2.gz SWLGDFULZZJZQM-NKWVEPMBSA-N 0 1 248.120 1.901 10 0 BDAEMN CCC(C)(C)C(=O)N[C@@H]1CN2CCC1CC2 ZINC000222592212 635731765 /nfs/dbraw/zinc/73/17/65/635731765.db2.gz OQWNQERCCFRNEM-LLVKDONJSA-N 0 1 224.348 1.633 10 0 BDAEMN CCC[C@H](C(=O)Nc1cn(C)nc1C)N(C)C ZINC000179416003 632709924 /nfs/dbraw/zinc/70/99/24/632709924.db2.gz VXOCTELMFRMOGM-LLVKDONJSA-N 0 1 238.335 1.397 10 0 BDAEMN C[C@@H](NCc1cccnc1Cl)[C@H](C)O ZINC000308473635 633728679 /nfs/dbraw/zinc/72/86/79/633728679.db2.gz AHSYDQLCYXNIEJ-SFYZADRCSA-N 0 1 214.696 1.594 10 0 BDAEMN Cn1nc(C(C)(C)C)nc1[C@H]1CCCCN1 ZINC000054698765 640318727 /nfs/dbraw/zinc/31/87/27/640318727.db2.gz DZUAVRNVRAASNQ-SECBINFHSA-N 0 1 222.336 1.927 10 0 BDAEMN C/C=C(/C)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000229816139 640982292 /nfs/dbraw/zinc/98/22/92/640982292.db2.gz OCZKBZKBNGFLNR-ZVRIXJHSSA-N 0 1 223.316 1.995 10 0 BDAEMN COC1CC(NCc2c(C)nn(C)c2Cl)C1 ZINC000230689655 641086164 /nfs/dbraw/zinc/08/61/64/641086164.db2.gz YJDOYMZDSJTHIM-UHFFFAOYSA-N 0 1 243.738 1.649 10 0 BDAEMN CCCCCC[C@@H](C)NC(=O)[C@H](N)COC ZINC000088003119 641221793 /nfs/dbraw/zinc/22/17/93/641221793.db2.gz SBTIVPOMOIEQJT-GHMZBOCLSA-N 0 1 230.352 1.435 10 0 BDAEMN COC[C@@H](N)C(=O)NC1CCCCCCC1 ZINC000088002297 641221909 /nfs/dbraw/zinc/22/19/09/641221909.db2.gz IDTQAPWYFBRKLX-LLVKDONJSA-N 0 1 228.336 1.189 10 0 BDAEMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)CC1CCCC1 ZINC000232140554 641247131 /nfs/dbraw/zinc/24/71/31/641247131.db2.gz ZZQOBILEIYFQPT-KOLCDFICSA-N 0 1 229.320 1.333 10 0 BDAEMN CC1(C)[C@@H](NCc2ccon2)[C@@H]2CCO[C@@H]21 ZINC000088052619 641281008 /nfs/dbraw/zinc/28/10/08/641281008.db2.gz PWAJRSBSRXLMTQ-DCAQKATOSA-N 0 1 222.288 1.578 10 0 BDAEMN CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@]1(COC)C(=O)[O-] ZINC000723103175 711502511 /nfs/dbraw/zinc/50/25/11/711502511.db2.gz ZTWBZFAZUHQCRM-MDZLAQPJSA-N 0 1 241.331 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586442716 /nfs/dbraw/zinc/44/27/16/586442716.db2.gz BVWUSTIEMRRVIF-SCZZXKLOSA-N 0 1 240.328 1.507 10 0 BDAEMN Cc1sc([C@H]2C[NH2+]C[C@@H](N)C2)cc1C(=O)[O-] ZINC000757231251 586443006 /nfs/dbraw/zinc/44/30/06/586443006.db2.gz HJESKODEAQBJCP-SFYZADRCSA-N 0 1 240.328 1.159 10 0 BDAEMN CN1CCC(=CC(=O)OC(C)(C)C)CC1 ZINC000107246821 588344767 /nfs/dbraw/zinc/34/47/67/588344767.db2.gz UADZESDXVJWWSA-UHFFFAOYSA-N 0 1 211.305 1.980 10 0 BDAEMN O=C(C1CCCC1)N1CCC[C@H]1c1nn[nH]n1 ZINC000095122843 635427438 /nfs/dbraw/zinc/42/74/38/635427438.db2.gz IZJNDVGRYMKARI-VIFPVBQESA-N 0 1 235.291 1.053 10 0 BDAEMN C[C@@H](O)[C@@H](C)NCc1occc1Br ZINC000308272582 631235664 /nfs/dbraw/zinc/23/56/64/631235664.db2.gz SWLGDFULZZJZQM-RNFRBKRXSA-N 0 1 248.120 1.901 10 0 BDAEMN NC1(c2ncccn2)Cc2ccccc2C1 ZINC000380784505 631319261 /nfs/dbraw/zinc/31/92/61/631319261.db2.gz CPVLWCGIDPTLNH-UHFFFAOYSA-N 0 1 211.268 1.429 10 0 BDAEMN CCN1CCC[C@@H](NC(=O)c2ccc(C=O)[nH]2)C1 ZINC000176267053 631654036 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ZUHPEWDBMBOLBX-YPMHNXCESA-N 0 1 247.294 1.112 10 0 BDAEMN O[C@@H]1CN[C@H](c2nc(Cc3ccccc3)no2)C1 ZINC000131702888 488050142 /nfs/dbraw/zinc/05/01/42/488050142.db2.gz NHKMFJGAGGPGDH-QWRGUYRKSA-N 0 1 245.282 1.056 10 0 BDAEMN CN1CCC[C@H]1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000257687453 488081847 /nfs/dbraw/zinc/08/18/47/488081847.db2.gz SAPLSHRHXKPFPW-RYUDHWBXSA-N 0 1 240.347 1.410 10 0 BDAEMN O=C([O-])[C@H]1C[N@@H+](C[C@@H]2Cc3ccccc32)CCO1 ZINC000227467768 488090729 /nfs/dbraw/zinc/09/07/29/488090729.db2.gz ZUHPEWDBMBOLBX-WCQYABFASA-N 0 1 247.294 1.112 10 0 BDAEMN CCn1c(C)nnc1CN[C@@]1(CC)CCOC1 ZINC000683040807 488103109 /nfs/dbraw/zinc/10/31/09/488103109.db2.gz GGBTZWCLRFBKNT-LBPRGKRZSA-N 0 1 238.335 1.265 10 0 BDAEMN NCc1ccc(C(=O)NCC[C@@H]2CCCO2)o1 ZINC000094569346 487543537 /nfs/dbraw/zinc/54/35/37/487543537.db2.gz QYHBEXMSTLIXOK-VIFPVBQESA-N 0 1 238.287 1.037 10 0 BDAEMN OC[C@H]1COCCN1C[C@@H]1Cc2ccccc21 ZINC000168901712 487551026 /nfs/dbraw/zinc/55/10/26/487551026.db2.gz NFKZLMAEVMVZDR-STQMWFEESA-N 0 1 233.311 1.019 10 0 BDAEMN Cc1cccc(CC[N@H+]2CCC[C@]2(C)C(=O)[O-])n1 ZINC000399939019 487497748 /nfs/dbraw/zinc/49/77/48/487497748.db2.gz RIRQGVCGTIEJPT-CQSZACIVSA-N 0 1 248.326 1.872 10 0 BDAEMN C[C@@H]1CN(C[C@H]2CCC[C@@H](O)C2)CCC1=O ZINC000390286593 488145772 /nfs/dbraw/zinc/14/57/72/488145772.db2.gz XAMJNPKDYLUTEE-GRYCIOLGSA-N 0 1 225.332 1.448 10 0 BDAEMN CC[C@H](N[C@@H]1CCc2c1cccc2O)C(N)=O ZINC000294250917 488147786 /nfs/dbraw/zinc/14/77/86/488147786.db2.gz PYRRDBQAIDPCOP-WDEREUQCSA-N 0 1 234.299 1.233 10 0 BDAEMN CC(C)[C@H](C)[N@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC000085618257 488191133 /nfs/dbraw/zinc/19/11/33/488191133.db2.gz ADHKIIIPOWOKGL-VHSXEESVSA-N 0 1 215.293 1.206 10 0 BDAEMN Cc1nc2c([nH]1)CC[C@@H](C(=O)NC(C)(C)C)C2 ZINC000220580606 490616656 /nfs/dbraw/zinc/61/66/56/490616656.db2.gz YDYJJNQYIQTJAQ-SECBINFHSA-N 0 1 235.331 1.738 10 0 BDAEMN C[C@H](NCCC(N)=O)c1cc(F)ccc1F ZINC000035247156 491120710 /nfs/dbraw/zinc/12/07/10/491120710.db2.gz ZQHDVYBDASDMMS-ZETCQYMHSA-N 0 1 228.242 1.491 10 0 BDAEMN NCc1nnc2c(C(F)(F)F)cccn12 ZINC000258532797 527266799 /nfs/dbraw/zinc/26/67/99/527266799.db2.gz PXTYJUBKBDANCA-UHFFFAOYSA-N 0 1 216.166 1.207 10 0 BDAEMN CCOC(=O)[C@H](CC)N1C[C@H](C)C[C@@H](O)C1 ZINC000401611649 528010877 /nfs/dbraw/zinc/01/08/77/528010877.db2.gz KCGXNYPLWRKHDO-MXWKQRLJSA-N 0 1 229.320 1.031 10 0 BDAEMN O=C(C[C@H]1NCCc2ccoc21)NC1CC1 ZINC000701404437 582916030 /nfs/dbraw/zinc/91/60/30/582916030.db2.gz WEMCDHDNSFGNMA-SNVBAGLBSA-N 0 1 220.272 1.135 10 0 BDAEMN CN1CCN(c2cc(N)cc(F)c2)CC1 ZINC000037666507 536419495 /nfs/dbraw/zinc/41/94/95/536419495.db2.gz PZBBQMPXDSBDJJ-UHFFFAOYSA-N 0 1 209.268 1.160 10 0 BDAEMN NCC(F)(F)COCCOC1CCC1 ZINC000685955931 537944796 /nfs/dbraw/zinc/94/47/96/537944796.db2.gz UHMLDBPQOLGXIM-UHFFFAOYSA-N 0 1 209.236 1.166 10 0 BDAEMN Cn1nccc1-c1cc(=O)[n-]c([C@H]2CCC[NH2+]2)n1 ZINC000725257052 538060436 /nfs/dbraw/zinc/06/04/36/538060436.db2.gz HCYLHZFYIJSKOL-MRVPVSSYSA-N 0 1 245.286 1.007 10 0 BDAEMN N[C@@H](c1ncccn1)[C@H]1CCOC2(CCC2)C1 ZINC000094398483 566456212 /nfs/dbraw/zinc/45/62/12/566456212.db2.gz NFBFFYVBAYYUBT-WDEREUQCSA-N 0 1 233.315 1.826 10 0 BDAEMN CNCc1csc([C@H](O)C(C)(C)C)n1 ZINC000757123370 582498268 /nfs/dbraw/zinc/49/82/68/582498268.db2.gz ARQJDASBGYAEFK-QMMMGPOBSA-N 0 1 214.334 1.942 10 0 BDAEMN Cn1ccc2cc(NCc3nn[nH]n3)ccc21 ZINC000757129343 582504102 /nfs/dbraw/zinc/50/41/02/582504102.db2.gz LFKPLISTCPGADR-UHFFFAOYSA-N 0 1 228.259 1.304 10 0 BDAEMN N[C@@H](CF)c1c(F)cccc1N1CCOCC1 ZINC000757134253 582510923 /nfs/dbraw/zinc/51/09/23/582510923.db2.gz NDRNUSJELKVEPI-JTQLQIEISA-N 0 1 242.269 1.632 10 0 BDAEMN CN(C)c1nc(N)c(-c2cccc(F)c2)c(=O)[nH]1 ZINC000757178841 582553677 /nfs/dbraw/zinc/55/36/77/582553677.db2.gz UMRCTSHXNJJGBY-UHFFFAOYSA-N 0 1 248.261 1.637 10 0 BDAEMN Cc1cn2c(n1)NCC[C@@H]2[C@@H]1CCOC1 ZINC000236045339 582637427 /nfs/dbraw/zinc/63/74/27/582637427.db2.gz OFQZSJSQGJJEQM-NXEZZACHSA-N 0 1 207.277 1.585 10 0 BDAEMN Cc1cn2c(n1)NCC[C@@H]2c1cnn(C)c1 ZINC000236045944 582637588 /nfs/dbraw/zinc/63/75/88/582637588.db2.gz OFVPHEGCNVLPBX-SNVBAGLBSA-N 0 1 217.276 1.330 10 0 BDAEMN O=C([O-])c1cc2c([nH]c1=O)CC[N@H+](C1CC1)C2 ZINC000383651538 582732981 /nfs/dbraw/zinc/73/29/81/582732981.db2.gz DPCOIRZDZGZTPV-UHFFFAOYSA-N 0 1 234.255 1.006 10 0 BDAEMN CC(C)[C@H](NCc1ccc(F)c(F)c1)C(N)=O ZINC000107323099 582805076 /nfs/dbraw/zinc/80/50/76/582805076.db2.gz XLBCMIRNUUKIPP-NSHDSACASA-N 0 1 242.269 1.564 10 0 BDAEMN CCc1ccccc1[C@@H]1C[N@@H+](C)C[C@H]1C(=O)[O-] ZINC000757186030 586434654 /nfs/dbraw/zinc/43/46/54/586434654.db2.gz FGQCRUYZEJPPDK-QWHCGFSZSA-N 0 1 233.311 1.979 10 0 BDAEMN CC(C)[N@@H+]1C[C@@H](c2ccc(N)cc2)[C@H](C(=O)[O-])C1 ZINC000757188076 586435227 /nfs/dbraw/zinc/43/52/27/586435227.db2.gz HXNCSEMYQVMOHG-QWHCGFSZSA-N 0 1 248.326 1.777 10 0 BDAEMN COc1ccc(C)cc1[C@@H]1C[N@@H+](C)C[C@H]1C(=O)[O-] ZINC000757193723 586436427 /nfs/dbraw/zinc/43/64/27/586436427.db2.gz UZWZVWXNZLIKCC-NWDGAFQWSA-N 0 1 249.310 1.733 10 0 BDAEMN [NH3+][C@H]1CCN[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757237891 586443847 /nfs/dbraw/zinc/44/38/47/586443847.db2.gz QRYGEFFUZBAEPJ-QWRGUYRKSA-N 0 1 220.272 1.137 10 0 BDAEMN O[C@]12CCCC[C@@H]1CN(Cc1cncnc1)CC2 ZINC000129346879 591282569 /nfs/dbraw/zinc/28/25/69/591282569.db2.gz XCILCZOZSOWWOM-KGLIPLIRSA-N 0 1 247.342 1.604 10 0 BDAEMN C[C@@H]1CCC[N@@H+](C[C@@H]2CCCO2)[C@@H]1C(=O)[O-] ZINC000235311240 632656535 /nfs/dbraw/zinc/65/65/35/632656535.db2.gz XHEQOTFTDGLPIK-VWYCJHECSA-N 0 1 227.304 1.351 10 0 BDAEMN CCN1CCC[C@@H]1CN(C)C(=O)C(F)(F)F ZINC000092677454 634221222 /nfs/dbraw/zinc/22/12/22/634221222.db2.gz JQIFHUVJMUKREO-MRVPVSSYSA-N 0 1 238.253 1.491 10 0 BDAEMN CCCc1nc([C@@H](N)C(C)(C)C)n(C)n1 ZINC000054697551 640303032 /nfs/dbraw/zinc/30/30/32/640303032.db2.gz DVLNYGFSSQRSOV-SECBINFHSA-N 0 1 210.325 1.814 10 0 BDAEMN CCN1CCN(c2cncc3cccnc32)CC1 ZINC000223138219 640537641 /nfs/dbraw/zinc/53/76/41/640537641.db2.gz JMIZZMWWOVGKIO-UHFFFAOYSA-N 0 1 242.326 1.772 10 0 BDAEMN Nc1c(C(=O)[O-])cc[nH+]c1N1CCCCCC1 ZINC000088796988 641390345 /nfs/dbraw/zinc/39/03/45/641390345.db2.gz VJBFMAOKIFTNBG-UHFFFAOYSA-N 0 1 235.287 1.742 10 0 BDAEMN CC(C)[C@H](C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188287490 641752649 /nfs/dbraw/zinc/75/26/49/641752649.db2.gz LGAJXXUELYDLOW-JTQLQIEISA-N 0 1 249.358 1.992 10 0 BDAEMN COC(=O)C[C@@H](N)c1ccc(Cl)cn1 ZINC000238331762 642316735 /nfs/dbraw/zinc/31/67/35/642316735.db2.gz HBXJLCRYYUAGKY-SSDOTTSWSA-N 0 1 214.652 1.298 10 0 BDAEMN CCOC(=O)[C@@H](N)CCn1cc(Cl)c(C)n1 ZINC000070704299 643062373 /nfs/dbraw/zinc/06/23/73/643062373.db2.gz MUJKTOKDHNGGKM-VIFPVBQESA-N 0 1 245.710 1.125 10 0 BDAEMN CC[C@H](C)c1noc([C@@H]2CNCCO2)n1 ZINC000082570016 643344392 /nfs/dbraw/zinc/34/43/92/643344392.db2.gz ZSEAAOCMRANZFR-YUMQZZPRSA-N 0 1 211.265 1.244 10 0 BDAEMN [NH3+][C@H]1CCN[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757211049 643370668 /nfs/dbraw/zinc/37/06/68/643370668.db2.gz FSVKAJBSHSPDRE-QWRGUYRKSA-N 0 1 220.272 1.137 10 0 BDAEMN COC(=O)[C@@](C)(N)C[C@H](C)n1ccc(C)n1 ZINC000082800579 643525126 /nfs/dbraw/zinc/52/51/26/643525126.db2.gz UDNJZWONWVSYJF-ONGXEEELSA-N 0 1 225.292 1.033 10 0 BDAEMN Cc1cccc([C@H]2C[N@@H+](C)C[C@@H]2C(=O)[O-])c1 ZINC000074079713 643645831 /nfs/dbraw/zinc/64/58/31/643645831.db2.gz XKKARNJVKAETNK-NEPJUHHUSA-N 0 1 219.284 1.725 10 0 BDAEMN O=c1[nH]c([C@H]2CCCO2)ncc1Br ZINC000085449579 643752788 /nfs/dbraw/zinc/75/27/88/643752788.db2.gz FTITXMYONJEEFK-ZCFIWIBFSA-N 0 1 245.076 1.384 10 0 BDAEMN CC(C)[C@H](C)C(=O)N1CCC[C@H]1c1nn[nH]n1 ZINC000095195323 644745529 /nfs/dbraw/zinc/74/55/29/644745529.db2.gz UYJOPQYKGJWOEN-IUCAKERBSA-N 0 1 237.307 1.155 10 0 BDAEMN Clc1nccnc1N1CCN2CCC[C@H]2C1 ZINC000250240731 644749843 /nfs/dbraw/zinc/74/98/43/644749843.db2.gz IIGOIEGHIJYGEZ-VIFPVBQESA-N 0 1 238.722 1.414 10 0 BDAEMN C[C@@H](NCc1nccn1C1CC1)[C@H](C)O ZINC000711754709 712324835 /nfs/dbraw/zinc/32/48/35/712324835.db2.gz FEYSXNRBVPWXGL-BDAKNGLRSA-N 0 1 209.293 1.077 10 0 BDAEMN OC[C@@H]1CN(CC[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000715468957 712383664 /nfs/dbraw/zinc/38/36/64/712383664.db2.gz HQZRIPQGEUAZAU-AGIUHOORSA-N 0 1 225.332 1.116 10 0 BDAEMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720574872 712853360 /nfs/dbraw/zinc/85/33/60/712853360.db2.gz DBGXFVGONQYODZ-CHWFTXMASA-N 0 1 227.304 1.349 10 0 BDAEMN Cc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1C(=O)[O-] ZINC000701832739 712029894 /nfs/dbraw/zinc/02/98/94/712029894.db2.gz GSLVVMVUPYRYAJ-NSHDSACASA-N 0 1 249.310 1.914 10 0 BDAEMN Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1C(=O)[O-] ZINC000701832739 712029896 /nfs/dbraw/zinc/02/98/96/712029896.db2.gz GSLVVMVUPYRYAJ-NSHDSACASA-N 0 1 249.310 1.914 10 0 BDAEMN CO[C@@H]1CN[C@](C)(c2nc([C@@H]3CC34CC4)no2)C1 ZINC000702750503 712060424 /nfs/dbraw/zinc/06/04/24/712060424.db2.gz LPRKAOBTAORSFY-AUTRQRHGSA-N 0 1 249.314 1.561 10 0 BDAEMN C[C@H](NCc1cc(Cl)n(C)n1)[C@@H]1CCCO1 ZINC000706177064 712141428 /nfs/dbraw/zinc/14/14/28/712141428.db2.gz SASBBFGHZORHHU-WPRPVWTQSA-N 0 1 243.738 1.731 10 0 BDAEMN C[C@H](N[C@@H]1CC[C@@H](C)SC1)c1cn(C)nn1 ZINC000715919499 712542184 /nfs/dbraw/zinc/54/21/84/712542184.db2.gz HASHDKNTELZJQX-KXUCPTDWSA-N 0 1 240.376 1.750 10 0 BDAEMN Cc1nn(C)c(Cl)c1CN[C@@H](C)[C@@H](C)O ZINC000379944446 712634771 /nfs/dbraw/zinc/63/47/71/712634771.db2.gz QDXCBUNIJGKOFD-POYBYMJQSA-N 0 1 231.727 1.241 10 0 BDAEMN CC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000111690901 712688351 /nfs/dbraw/zinc/68/83/51/712688351.db2.gz JOVWHDZNVZNNEF-VIFPVBQESA-N 0 1 245.286 1.158 10 0 BDAEMN Cc1conc1CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000720379705 712836928 /nfs/dbraw/zinc/83/69/28/712836928.db2.gz ONHJRIKCUHRMFH-SDDRHHMPSA-N 0 1 236.315 1.576 10 0 BDAEMN Cc1conc1CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000720379704 712837179 /nfs/dbraw/zinc/83/71/79/712837179.db2.gz ONHJRIKCUHRMFH-QJPTWQEYSA-N 0 1 236.315 1.576 10 0 BDAEMN C[C@H]1CC[N@@H+](Cc2nccs2)C[C@@H]1C(=O)[O-] ZINC000693466367 954754053 /nfs/dbraw/zinc/75/40/53/954754053.db2.gz UNPGZJAAWZWIAJ-IUCAKERBSA-N 0 1 240.328 1.686 10 0 BDAEMN Cc1n[nH]cc1C[N@@H+](C)CCCCC(=O)[O-] ZINC000724782362 955211699 /nfs/dbraw/zinc/21/16/99/955211699.db2.gz ACQOHRMCUWNQPA-UHFFFAOYSA-N 0 1 225.292 1.405 10 0 BDAEMN C[C@@H](O)CCC[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000701414297 968985009 /nfs/dbraw/zinc/98/50/09/968985009.db2.gz VMZFDILFOPTDSY-SNVBAGLBSA-N 0 1 231.336 1.580 10 0 BDAEMN CO[C@H]1CCC[N@@H+](C/C=C(/C)C(=O)[O-])CC1 ZINC000692053222 976398907 /nfs/dbraw/zinc/39/89/07/976398907.db2.gz LLDOEIYGJUADOK-VQNWOSHQSA-N 0 1 227.304 1.518 10 0 BDAEMN COC[C@H]1CCC[N@H+]1C/C(C)=C/C(=O)[O-] ZINC000696519290 976818885 /nfs/dbraw/zinc/81/88/85/976818885.db2.gz IIGMZNHROWGALV-OLKPEBQYSA-N 0 1 213.277 1.128 10 0 BDAEMN CO[C@H]1C[N@@H+](CCC(C)C)[C@](C)(C(=O)[O-])C1 ZINC000702730315 977112413 /nfs/dbraw/zinc/11/24/13/977112413.db2.gz JYELPMBCVRWEQK-PWSUYJOCSA-N 0 1 229.320 1.597 10 0 BDAEMN C/C(=C/C(=O)[O-])C[N@H+]1CCC12CCOCC2 ZINC000707438354 977390429 /nfs/dbraw/zinc/39/04/29/977390429.db2.gz PHTBOYGTTBPJRF-NTMALXAHSA-N 0 1 225.288 1.272 10 0 BDAEMN CCC(C)(C)CCN1CC[NH+](CC(=O)[O-])CC1 ZINC000711278331 977532862 /nfs/dbraw/zinc/53/28/62/977532862.db2.gz JDHKHYVMDKOXQQ-UHFFFAOYSA-N 0 1 242.363 1.515 10 0 BDAEMN C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCCC(=O)[O-] ZINC000390216194 951371606 /nfs/dbraw/zinc/37/16/06/951371606.db2.gz XKDCNVLHFXVNIO-OUAUKWLOSA-N 0 1 229.320 1.333 10 0 BDAEMN C/C(=C/C(=O)[O-])C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000324340970 971110691 /nfs/dbraw/zinc/11/06/91/971110691.db2.gz XYLPGEOFYKYTLX-BMMYIHMSSA-N 0 1 239.315 1.374 10 0 BDAEMN O=C([O-])c1cc[nH+]c(NC[C@@H]2CCC=CO2)c1 ZINC000379927488 971665685 /nfs/dbraw/zinc/66/56/85/971665685.db2.gz SVYCGHAFMOMLMT-JTQLQIEISA-N 0 1 234.255 1.884 10 0 BDAEMN COC1(C[N@@H+](C)CCC(=O)[O-])CCCCC1 ZINC000319868918 950971905 /nfs/dbraw/zinc/97/19/05/950971905.db2.gz MVUKXUXDWWRLNG-UHFFFAOYSA-N 0 1 229.320 1.742 10 0 BDAEMN C[C@@H]1C[N@@H+](CCC(C)(C)O)CC[C@@H]1C(=O)[O-] ZINC000382550626 951224364 /nfs/dbraw/zinc/22/43/64/951224364.db2.gz FWMKXROJYGAGFW-ZJUUUORDSA-N 0 1 229.320 1.190 10 0 BDAEMN C[C@H](C(=O)[O-])[N@@H+](CCN1CCCC1)C1CC1 ZINC000383004826 951234067 /nfs/dbraw/zinc/23/40/67/951234067.db2.gz ANYNAGQNEUBRJQ-SNVBAGLBSA-N 0 1 226.320 1.020 10 0 BDAEMN C[C@H](C(=O)[O-])N(CC[NH+]1CCCC1)C1CC1 ZINC000383004826 951234073 /nfs/dbraw/zinc/23/40/73/951234073.db2.gz ANYNAGQNEUBRJQ-SNVBAGLBSA-N 0 1 226.320 1.020 10 0 BDAEMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](SC)C1 ZINC000383038145 951236308 /nfs/dbraw/zinc/23/63/08/951236308.db2.gz MDAOZJJFJLXMFU-SFYZADRCSA-N 0 1 203.307 1.287 10 0 BDAEMN C[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])cc[nH+]2)[C@@H](C)O1 ZINC000385162890 951276629 /nfs/dbraw/zinc/27/66/29/951276629.db2.gz NZJLVTKDJMNMKM-NQMVMOMDSA-N 0 1 236.271 1.758 10 0 BDAEMN CC[C@H](C(=O)[O-])[N@@H+](C)CCn1nc(C)cc1C ZINC000386928692 951305593 /nfs/dbraw/zinc/30/55/93/951305593.db2.gz SRWHRPIRGVXYGV-LLVKDONJSA-N 0 1 239.319 1.295 10 0 BDAEMN C[C@H]1C[N@@H+](CCCC(=O)[O-])C[C@H](C2CC2)O1 ZINC000381133073 971740992 /nfs/dbraw/zinc/74/09/92/971740992.db2.gz LEGCUFKKNSTIML-GXSJLCMTSA-N 0 1 227.304 1.351 10 0 BDAEMN COCC1(C[N@H+]2CCC[C@]2(C)C(=O)[O-])CCC1 ZINC000393872467 951443671 /nfs/dbraw/zinc/44/36/71/951443671.db2.gz AJWLQBHAKGKZNX-GFCCVEGCSA-N 0 1 241.331 1.742 10 0 BDAEMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1nccn1C ZINC000397073960 951515453 /nfs/dbraw/zinc/51/54/53/951515453.db2.gz DGXJJVRAJBKZEY-UWVGGRQHSA-N 0 1 237.303 1.105 10 0 BDAEMN CC(C)[C@H](O)C[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000397103003 951525621 /nfs/dbraw/zinc/52/56/21/951525621.db2.gz PBAULGGOVHVQKB-GMTAPVOTSA-N 0 1 229.320 1.188 10 0 BDAEMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ncccn1 ZINC000397101173 951525934 /nfs/dbraw/zinc/52/59/34/951525934.db2.gz OPHQYLITFJQUCO-ZJUUUORDSA-N 0 1 235.287 1.162 10 0 BDAEMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ncccn1 ZINC000397101171 951526096 /nfs/dbraw/zinc/52/60/96/951526096.db2.gz OPHQYLITFJQUCO-VHSXEESVSA-N 0 1 235.287 1.162 10 0 BDAEMN CC[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-])OC ZINC000397121071 951532344 /nfs/dbraw/zinc/53/23/44/951532344.db2.gz YWTCAJMKHHTQBM-GMTAPVOTSA-N 0 1 229.320 1.597 10 0 BDAEMN CCC[C@H](C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1)OC ZINC000398724325 951601818 /nfs/dbraw/zinc/60/18/18/951601818.db2.gz ZRXUTXJNJTUAFA-GRYCIOLGSA-N 0 1 243.347 1.844 10 0 BDAEMN CCCCOCC[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000398713198 951600914 /nfs/dbraw/zinc/60/09/14/951600914.db2.gz DNVHYGFJOTULPH-VXGBXAGGSA-N 0 1 243.347 1.846 10 0 BDAEMN CSC1(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC000398908181 951621584 /nfs/dbraw/zinc/62/15/84/951621584.db2.gz IAASZAOSRNAQKO-UWVGGRQHSA-N 0 1 243.372 1.925 10 0 BDAEMN COCC(C)(C)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000381501470 971762653 /nfs/dbraw/zinc/76/26/53/971762653.db2.gz OZBBTMSSBQYWSB-UHFFFAOYSA-N 0 1 229.320 1.598 10 0 BDAEMN C[C@@H]1Cc2[nH+]cn(CCC(=O)[O-])c2C[C@H]1C ZINC000381603839 971766809 /nfs/dbraw/zinc/76/68/09/971766809.db2.gz PAQZPFBLZQATRT-RKDXNWHRSA-N 0 1 222.288 1.729 10 0 BDAEMN CC[C@H](CO)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000382257852 971805345 /nfs/dbraw/zinc/80/53/45/971805345.db2.gz KKXFWBIQNLNUNJ-MRVPVSSYSA-N 0 1 227.260 1.181 10 0 BDAEMN CC1=CCC[N@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000382531036 971819809 /nfs/dbraw/zinc/81/98/09/971819809.db2.gz KSHZAQWKVBRPIJ-UHFFFAOYSA-N 0 1 238.312 1.993 10 0 BDAEMN CC1=CCC[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000382531036 971819812 /nfs/dbraw/zinc/81/98/12/971819812.db2.gz KSHZAQWKVBRPIJ-UHFFFAOYSA-N 0 1 238.312 1.993 10 0 BDAEMN C[C@H]([N@@H+](C)Cc1occc1C(=O)[O-])C(C)(C)O ZINC000382793181 971833086 /nfs/dbraw/zinc/83/30/86/971833086.db2.gz MSKBAPCRKTVRFG-QMMMGPOBSA-N 0 1 241.287 1.569 10 0 BDAEMN C[C@@H]([N@@H+](C)Cc1cc(C(=O)[O-])co1)C(C)(C)O ZINC000382804852 971833960 /nfs/dbraw/zinc/83/39/60/971833960.db2.gz WMAYSSSCSOOPJI-MRVPVSSYSA-N 0 1 241.287 1.569 10 0 BDAEMN O=C([O-])c1cnoc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000382961604 971841536 /nfs/dbraw/zinc/84/15/36/971841536.db2.gz OQHXTYKYYOLYHZ-AOOOYVTPSA-N 0 1 248.282 1.771 10 0 BDAEMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000383094067 971848128 /nfs/dbraw/zinc/84/81/28/971848128.db2.gz YAIMAYHDYOGQSD-WZRBSPASSA-N 0 1 241.331 1.334 10 0 BDAEMN CC(C)[N@@H+](CCC(=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000383066046 971847185 /nfs/dbraw/zinc/84/71/85/971847185.db2.gz OTQFPQZCKSCYFL-RYUDHWBXSA-N 0 1 243.347 1.723 10 0 BDAEMN CCCC[C@@H](C(=O)[O-])[NH+]1CC(O)(C(C)C)C1 ZINC000384098005 971911149 /nfs/dbraw/zinc/91/11/49/971911149.db2.gz YNQPFFKHYGIDON-JTQLQIEISA-N 0 1 229.320 1.333 10 0 BDAEMN Cc1[nH]c(CN[C@@H](C)C[NH+](C)C)cc1C(=O)[O-] ZINC000384128071 971912283 /nfs/dbraw/zinc/91/22/83/971912283.db2.gz IVGISYYYMQDJKP-QMMMGPOBSA-N 0 1 239.319 1.061 10 0 BDAEMN C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1occc1C(=O)[O-] ZINC000385943402 972022682 /nfs/dbraw/zinc/02/26/82/972022682.db2.gz WMIWODWESLPURW-RKDXNWHRSA-N 0 1 239.271 1.181 10 0 BDAEMN O=C([O-])[C@H](C1CC1)[N@H+]1CCC[C@@H](F)C1 ZINC000689407437 954659772 /nfs/dbraw/zinc/65/97/72/954659772.db2.gz VNQVWQZLIVODOH-BDAKNGLRSA-N 0 1 201.241 1.284 10 0 BDAEMN CC(C)OCCC[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000690432958 954671343 /nfs/dbraw/zinc/67/13/43/954671343.db2.gz ZKHUEOVXUKFAJO-NEPJUHHUSA-N 0 1 243.347 1.844 10 0 BDAEMN Cc1cnc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)nc1 ZINC000692548746 954702063 /nfs/dbraw/zinc/70/20/63/954702063.db2.gz MLWDRTVYKVNFSG-MNOVXSKESA-N 0 1 249.314 1.470 10 0 BDAEMN C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC000693477808 954758317 /nfs/dbraw/zinc/75/83/17/954758317.db2.gz ZPYHSQDIOYHISM-GMTAPVOTSA-N 0 1 227.304 1.066 10 0 BDAEMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc[nH]n1 ZINC000693674853 954769145 /nfs/dbraw/zinc/76/91/45/954769145.db2.gz YSVCUEPKDOPNHC-IUCAKERBSA-N 0 1 223.276 1.095 10 0 BDAEMN C[C@@H](Nc1cc(C(=O)[O-])cc[nH+]1)C1(CO)CC1 ZINC000696149907 954815623 /nfs/dbraw/zinc/81/56/23/954815623.db2.gz ZYZOLHQYOGHJFL-MRVPVSSYSA-N 0 1 236.271 1.353 10 0 BDAEMN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000697239571 954823443 /nfs/dbraw/zinc/82/34/43/954823443.db2.gz SGPOVWGQDSQPDG-WHOHXGKFSA-N 0 1 243.347 1.434 10 0 BDAEMN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)ccn1 ZINC000703488114 954912581 /nfs/dbraw/zinc/91/25/81/954912581.db2.gz XSUQZZLKPCDPFR-LLVKDONJSA-N 0 1 220.272 1.297 10 0 BDAEMN COC1CC(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000703783994 954916606 /nfs/dbraw/zinc/91/66/06/954916606.db2.gz RODADRGONPSCFH-CBINBANVSA-N 0 1 227.304 1.208 10 0 BDAEMN COC1CC(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000703806485 954916669 /nfs/dbraw/zinc/91/66/69/954916669.db2.gz YMZNYYSETPDZHV-XKGSQUFQSA-N 0 1 241.331 1.454 10 0 BDAEMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000703832714 954917763 /nfs/dbraw/zinc/91/77/63/954917763.db2.gz AQANGOJFBDBEEU-YIZRAAEISA-N 0 1 215.318 1.429 10 0 BDAEMN O=C([O-])c1cc[nH+]c(N2CC[C@H](C(F)F)C2)c1 ZINC000706409080 954948135 /nfs/dbraw/zinc/94/81/35/954948135.db2.gz OUPZQUAUDZWZIK-QMMMGPOBSA-N 0 1 242.225 1.871 10 0 BDAEMN C[C@@H]1[C@@H](C)C[N@H+]1CC1(O)CCC(C(=O)[O-])CC1 ZINC000706824875 954956528 /nfs/dbraw/zinc/95/65/28/954956528.db2.gz HSOWKPHPLOPKPB-KIENENRBSA-N 0 1 241.331 1.333 10 0 BDAEMN CC[C@H](C[N@@H+](CC)[C@H](C)C(=O)[O-])OC ZINC000707911078 954978853 /nfs/dbraw/zinc/97/88/53/954978853.db2.gz CDQPTFXZACDGEE-RKDXNWHRSA-N 0 1 203.282 1.206 10 0 BDAEMN CC[N@@H+](C[C@H]1CCC(C)(C)O1)[C@@H](C)C(=O)[O-] ZINC000707905757 954979494 /nfs/dbraw/zinc/97/94/94/954979494.db2.gz TYAWAUSGRMOYEA-VHSXEESVSA-N 0 1 229.320 1.739 10 0 BDAEMN CC[N@@H+](CCSC(C)C)[C@@H](C)C(=O)[O-] ZINC000707958307 954987210 /nfs/dbraw/zinc/98/72/10/954987210.db2.gz WKSOHNWIAXLGKV-VIFPVBQESA-N 0 1 219.350 1.923 10 0 BDAEMN CC[C@H](C(=O)[O-])[N@@H+](C)CCc1nccs1 ZINC000708428921 954998536 /nfs/dbraw/zinc/99/85/36/954998536.db2.gz ZLBABWXCFVXRET-MRVPVSSYSA-N 0 1 228.317 1.481 10 0 BDAEMN COC(=O)CC[N@@H+](CC(=O)[O-])[C@H]1C=CCCC1 ZINC000715763475 955118399 /nfs/dbraw/zinc/11/83/99/955118399.db2.gz WIENDVHEKBLSII-JTQLQIEISA-N 0 1 241.287 1.045 10 0 BDAEMN CC(C)N1CC[C@@H]([N@@H+](C)CCCCC(=O)[O-])C1 ZINC000719354054 955166101 /nfs/dbraw/zinc/16/61/01/955166101.db2.gz GGYNJTPYTPRWAT-GFCCVEGCSA-N 0 1 242.363 1.656 10 0 BDAEMN CC(C)[N@@H+]1CC[C@@H](N(C)CCCCC(=O)[O-])C1 ZINC000719354054 955166105 /nfs/dbraw/zinc/16/61/05/955166105.db2.gz GGYNJTPYTPRWAT-GFCCVEGCSA-N 0 1 242.363 1.656 10 0 BDAEMN CC(C)[N@H+]1CC[C@@H](N(C)CCCCC(=O)[O-])C1 ZINC000719354054 955166112 /nfs/dbraw/zinc/16/61/12/955166112.db2.gz GGYNJTPYTPRWAT-GFCCVEGCSA-N 0 1 242.363 1.656 10 0 BDAEMN C/C(=C\C(=O)[O-])C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000390108769 972265146 /nfs/dbraw/zinc/26/51/46/972265146.db2.gz VMLJCRGBVKREFU-OLKPEBQYSA-N 0 1 227.304 1.110 10 0 BDAEMN CC[C@@]1(CO)CCC[N@H+]1CCCC(=O)[O-] ZINC000380135690 968079533 /nfs/dbraw/zinc/07/95/33/968079533.db2.gz UNYAORPCAAZUCU-NSHDSACASA-N 0 1 215.293 1.088 10 0 BDAEMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cccc(O)c1)C1CC1 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LAYLEEXVLUASRP-PSASIEDQSA-N 0 1 237.303 1.261 10 0 BDAEMN Cc1cn[nH]c1C[N@@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000715426049 969080963 /nfs/dbraw/zinc/08/09/63/969080963.db2.gz LAYLEEXVLUASRP-PSASIEDQSA-N 0 1 237.303 1.261 10 0 BDAEMN Cc1cn[nH]c1C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000715426049 969080969 /nfs/dbraw/zinc/08/09/69/969080969.db2.gz LAYLEEXVLUASRP-PSASIEDQSA-N 0 1 237.303 1.261 10 0 BDAEMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cncnc2)C1 ZINC000394116430 972675295 /nfs/dbraw/zinc/67/52/95/972675295.db2.gz RFKXOUAEGLPMPN-GFCCVEGCSA-N 0 1 235.287 1.163 10 0 BDAEMN CC(C)(CC[N@H+]1CCCCC[C@H]1CO)C(=O)[O-] ZINC000396008429 972845136 /nfs/dbraw/zinc/84/51/36/972845136.db2.gz DGWGYZLCKBNHAV-NSHDSACASA-N 0 1 243.347 1.724 10 0 BDAEMN C[C@H]1C[N@@H+](CCC2(O)CCC2)CC[C@H]1C(=O)[O-] ZINC000396986083 972957373 /nfs/dbraw/zinc/95/73/73/972957373.db2.gz YUBCUXKXPZEBOY-WDEREUQCSA-N 0 1 241.331 1.334 10 0 BDAEMN CC(C)(CC[NH+]1CC(OC(F)F)C1)C(=O)[O-] ZINC000398967337 973187051 /nfs/dbraw/zinc/18/70/51/973187051.db2.gz VTXMMKRUILWTMB-UHFFFAOYSA-N 0 1 237.246 1.411 10 0 BDAEMN C/C(=C\C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C)C(=O)[O-] ZINC000399580108 973227899 /nfs/dbraw/zinc/22/78/99/973227899.db2.gz RHURCZMTGTWUBZ-IPTMLQSCSA-N 0 1 211.305 1.994 10 0 BDAEMN CC[C@]1(C)COCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000687853131 976157578 /nfs/dbraw/zinc/15/75/78/976157578.db2.gz WAHHMLPKJCRYDO-GFCCVEGCSA-N 0 1 241.331 1.742 10 0 BDAEMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(CO)C1 ZINC000688120287 976169270 /nfs/dbraw/zinc/16/92/70/976169270.db2.gz XVMLMQVJSONKGZ-DGCLKSJQSA-N 0 1 243.347 1.724 10 0 BDAEMN C[C@H](CNCc1csc(C(=O)[O-])c1)[NH+](C)C ZINC000689187594 976241090 /nfs/dbraw/zinc/24/10/90/976241090.db2.gz MGPVPNUDBMYOOX-MRVPVSSYSA-N 0 1 242.344 1.486 10 0 BDAEMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000689245396 976246571 /nfs/dbraw/zinc/24/65/71/976246571.db2.gz PVKYMGSJKJUHMH-IJLUTSLNSA-N 0 1 243.347 1.579 10 0 BDAEMN O=C([O-])c1cc(C[N@@H+]2CC[C@H](F)C2)cs1 ZINC000689828414 976264321 /nfs/dbraw/zinc/26/43/21/976264321.db2.gz LTVOFTDSRCJBLB-QMMMGPOBSA-N 0 1 229.276 1.990 10 0 BDAEMN O=C([O-])c1cc(C[N@H+]2CC[C@H](F)C2)cs1 ZINC000689828414 976264333 /nfs/dbraw/zinc/26/43/33/976264333.db2.gz LTVOFTDSRCJBLB-QMMMGPOBSA-N 0 1 229.276 1.990 10 0 BDAEMN O=C([O-])CC1(C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000690317742 976284439 /nfs/dbraw/zinc/28/44/39/976284439.db2.gz MYQWSSNBJPHYIH-MNOVXSKESA-N 0 1 239.315 1.352 10 0 BDAEMN C[C@@H](O)C[N@@H+](Cc1ccccc1C(=O)[O-])C1CC1 ZINC000691484939 976358097 /nfs/dbraw/zinc/35/80/97/976358097.db2.gz ZXNOLHBLRTYLRT-SNVBAGLBSA-N 0 1 249.310 1.730 10 0 BDAEMN COC[C@@]1(C(=O)[O-])CCCC[N@H+]1CCC(C)C ZINC000692395696 976444567 /nfs/dbraw/zinc/44/45/67/976444567.db2.gz ZDBQDGYTGCFLJX-CYBMUJFWSA-N 0 1 243.347 1.988 10 0 BDAEMN Cc1cnc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])cn1 ZINC000693810510 976656944 /nfs/dbraw/zinc/65/69/44/976656944.db2.gz ZSQOWOYUQQUPOM-LBPRGKRZSA-N 0 1 249.314 1.614 10 0 BDAEMN CN1CCC[C@H]1CC[NH2+]C(C)(C)CC(=O)[O-] ZINC000694083542 976666610 /nfs/dbraw/zinc/66/66/10/976666610.db2.gz OEBYZNVNCHTWEL-JTQLQIEISA-N 0 1 228.336 1.314 10 0 BDAEMN CC[N@@H+](CC(C)(C)O)[C@H](CC(C)C)C(=O)[O-] ZINC000695145512 976783311 /nfs/dbraw/zinc/78/33/11/976783311.db2.gz HJNHKRTYWYRXOT-SNVBAGLBSA-N 0 1 231.336 1.579 10 0 BDAEMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000695340039 976793463 /nfs/dbraw/zinc/79/34/63/976793463.db2.gz GTEBADOMUVYTFP-NWDGAFQWSA-N 0 1 241.331 1.597 10 0 BDAEMN O=C([O-])[C@@H]([NH2+]CCCN1CCCCC1)C1CC1 ZINC000695422115 976795585 /nfs/dbraw/zinc/79/55/85/976795585.db2.gz FEECUYLDKLJFOS-LBPRGKRZSA-N 0 1 240.347 1.315 10 0 BDAEMN COC[C@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000696526894 976818501 /nfs/dbraw/zinc/81/85/01/976818501.db2.gz RGRJWHKDBWPGNP-GFCCVEGCSA-N 0 1 249.310 1.996 10 0 BDAEMN C/C(=C/C(=O)[O-])C[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000696805119 976825826 /nfs/dbraw/zinc/82/58/26/976825826.db2.gz KHGHGYHPCPNSLP-DXGKCEBASA-N 0 1 241.331 1.500 10 0 BDAEMN C/C(=C\C(=O)[O-])C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000698811496 976904941 /nfs/dbraw/zinc/90/49/41/976904941.db2.gz QPPUIAMRKNWNJS-AYLMVEPYSA-N 0 1 249.257 1.373 10 0 BDAEMN C/C(=C\C(=O)[O-])C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000698811496 976904950 /nfs/dbraw/zinc/90/49/50/976904950.db2.gz QPPUIAMRKNWNJS-AYLMVEPYSA-N 0 1 249.257 1.373 10 0 BDAEMN Cc1nccnc1C[N@H+](C)C(C)(C)CC(=O)[O-] ZINC000699532122 976920443 /nfs/dbraw/zinc/92/04/43/976920443.db2.gz RFBGPSANKIYLEA-UHFFFAOYSA-N 0 1 237.303 1.470 10 0 BDAEMN Cc1ncc(C[N@@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)o1 ZINC000700846274 976983758 /nfs/dbraw/zinc/98/37/58/976983758.db2.gz WGOYQWUTLLMGBE-PSASIEDQSA-N 0 1 238.287 1.668 10 0 BDAEMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CCn1ccnc1)C2 ZINC000701491625 977020207 /nfs/dbraw/zinc/02/02/07/977020207.db2.gz CLOVGCYZUBJXDW-AAEUAGOBSA-N 0 1 249.314 1.070 10 0 BDAEMN C/C(=C\C(=O)[O-])C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000701655180 977032240 /nfs/dbraw/zinc/03/22/40/977032240.db2.gz RVKMECVKQICLNB-RUYJGKKWSA-N 0 1 241.331 1.500 10 0 BDAEMN Cc1oc(C[NH2+][C@@H](C)CF)cc1C(=O)[O-] ZINC000702649408 977098663 /nfs/dbraw/zinc/09/86/63/977098663.db2.gz MWGRPESFBKSLTD-LURJTMIESA-N 0 1 215.224 1.734 10 0 BDAEMN CN(CC1(C)COC1)c1cc(C(=O)[O-])cc[nH+]1 ZINC000703009190 977144110 /nfs/dbraw/zinc/14/41/10/977144110.db2.gz ZAYMVVDLSXFCED-UHFFFAOYSA-N 0 1 236.271 1.253 10 0 BDAEMN C[C@](O)(C[N@H+]1C[C@@H]2CCCC[C@@]21C)C(=O)[O-] ZINC000706044187 977306338 /nfs/dbraw/zinc/30/63/38/977306338.db2.gz JXMWGBGTTJRCKQ-DLOVCJGASA-N 0 1 227.304 1.087 10 0 BDAEMN Cn1nc(C[N@@H+](C)C(C)(C)C(=O)[O-])cc1Cl ZINC000706138803 977308741 /nfs/dbraw/zinc/30/87/41/977308741.db2.gz CSYFBSTYDASTKI-UHFFFAOYSA-N 0 1 245.710 1.369 10 0 BDAEMN CCC(O)(CC)C[N@@H+](C)C/C(C)=C\C(=O)[O-] ZINC000706400577 977315016 /nfs/dbraw/zinc/31/50/16/977315016.db2.gz KYJAICAXYUDERE-YFHOEESVSA-N 0 1 229.320 1.500 10 0 BDAEMN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@H]1C ZINC000706912040 977367678 /nfs/dbraw/zinc/36/76/78/977367678.db2.gz CXEOCZBVLJOWKI-IUCAKERBSA-N 0 1 220.272 1.620 10 0 BDAEMN O=C([O-])c1coc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000706916817 977368804 /nfs/dbraw/zinc/36/88/04/977368804.db2.gz KERGADXOFOFINM-XCBNKYQSSA-N 0 1 207.229 1.572 10 0 BDAEMN O=C([O-])c1cc(C[N@H+]2CCC23CCCC3)on1 ZINC000707354495 977387446 /nfs/dbraw/zinc/38/74/46/977387446.db2.gz ZBSMHGLNHQSBAF-UHFFFAOYSA-N 0 1 236.271 1.891 10 0 BDAEMN O=C([O-])[C@@H]1CCCCC[N@H+]1CCOCC1CC1 ZINC000708570583 977437037 /nfs/dbraw/zinc/43/70/37/977437037.db2.gz OAVXVTKAZONVTB-LBPRGKRZSA-N 0 1 241.331 1.742 10 0 BDAEMN C[C@H](C[N@H+]1C[C@H](O)C[C@@H]1C(=O)[O-])CC(C)(C)C ZINC000709098293 977452090 /nfs/dbraw/zinc/45/20/90/977452090.db2.gz PSBYHLGAUQQTCZ-HBNTYKKESA-N 0 1 243.347 1.579 10 0 BDAEMN C[C@H]1C[N@@H+](CCC(C)(C)O)C[C@]1(C)C(=O)[O-] ZINC000710127865 977482991 /nfs/dbraw/zinc/48/29/91/977482991.db2.gz AXCFJJFHDDATAC-CABZTGNLSA-N 0 1 229.320 1.190 10 0 BDAEMN CC[C@@]1(O)CCC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000710631047 977516717 /nfs/dbraw/zinc/51/67/17/977516717.db2.gz HNHXEFGGIHFUAH-CMPLNLGQSA-N 0 1 227.304 1.087 10 0 BDAEMN Cc1c[nH]nc1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000716454115 977840232 /nfs/dbraw/zinc/84/02/32/977840232.db2.gz VALQVVORSJSRKZ-UHFFFAOYSA-N 0 1 245.282 1.706 10 0 BDAEMN Cc1conc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000720352055 978029461 /nfs/dbraw/zinc/02/94/61/978029461.db2.gz NRMQUCOCPRRMLY-IUCAKERBSA-N 0 1 224.260 1.278 10 0 BDAEMN CC[N@@H+](CCC(=O)[O-])C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720575425 978039251 /nfs/dbraw/zinc/03/92/51/978039251.db2.gz QNRQQGALIPNOQD-SDDRHHMPSA-N 0 1 241.331 1.741 10 0 BDAEMN Cc1[nH+]c(NC[C@H]2C[C@H](O)C2)ccc1C(=O)[O-] ZINC000720931171 978087242 /nfs/dbraw/zinc/08/72/42/978087242.db2.gz APHBAAPLAXOCMC-KYZUINATSA-N 0 1 236.271 1.271 10 0 BDAEMN C[C@@H]1C[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@H]1C ZINC000721533493 978117206 /nfs/dbraw/zinc/11/72/06/978117206.db2.gz XCQRWVQIDKJVNJ-BDAKNGLRSA-N 0 1 220.272 1.620 10 0 BDAEMN 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225.292 1.319 10 0 BDAEMN CC(C)n1ccc(CNC(C)(C)CO)n1 ZINC000082720523 643371098 /nfs/dbraw/zinc/37/10/98/643371098.db2.gz UTOGJVIVOVLBEL-UHFFFAOYSA-N 0 1 211.309 1.325 10 0 BDAEMN c1ccc2c(c1)OC[C@@H]2NC1CSC1 ZINC000307571160 643515677 /nfs/dbraw/zinc/51/56/77/643515677.db2.gz DUZNJKVGSVWCIK-JTQLQIEISA-N 0 1 207.298 1.825 10 0 BDAEMN C[C@H]1COCC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000083638421 643601540 /nfs/dbraw/zinc/60/15/40/643601540.db2.gz YDFPWJAKNLMWMX-VIFPVBQESA-N 0 1 215.293 1.208 10 0 BDAEMN C[C@@H]1CN(CCC2OCCCO2)C[C@@H](C)O1 ZINC000085705200 643773853 /nfs/dbraw/zinc/77/38/53/643773853.db2.gz QGZLPKJPWFXIQF-GHMZBOCLSA-N 0 1 229.320 1.249 10 0 BDAEMN Cc1ccc([C@@H](C)N[C@H]2CCC(=O)NC2=O)o1 ZINC000089754225 644565578 /nfs/dbraw/zinc/56/55/78/644565578.db2.gz RNJGMFRNIFXZEC-BDAKNGLRSA-N 0 1 236.271 1.044 10 0 BDAEMN CC[C@@H](C)c1noc([C@]2(C)CNCCO2)n1 ZINC000711531048 712310132 /nfs/dbraw/zinc/31/01/32/712310132.db2.gz SHQBBZGAJWQHCT-KCJUWKMLSA-N 0 1 225.292 1.418 10 0 BDAEMN 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